CAS 105392-26-5 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 105392-26-5, 2-(2,4-dichloro-5-fluoro-benzoyl)-3-cyclopylamino-acrylic-methylester, Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)prop-2-enoate, Methyl 3-cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylate, Akos015963437, Akos025393444
Molecular Formula
C14H12Cl2FNO3
Molecular Weight
332.2  g/mol
InChI Key
SOERDDQRVKVCEI-GLNOBURYSA-N

CAS 105392-26-5
1 2D Structure

CAS 105392-26-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (Z)-2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate
2.1.2 InChI
InChI=1S/C14H12Cl2FNO3/c1-21-14(20)9(6-18-7-2-3-7)13(19)8-4-12(17)11(16)5-10(8)15/h4-7,19H,2-3H2,1H3/b13-9-,18-6?
2.1.3 InChI Key
SOERDDQRVKVCEI-GLNOBURYSA-N
2.1.4 Canonical SMILES
COC(=O)C(=C(C1=CC(=C(C=C1Cl)Cl)F)O)C=NC2CC2
2.1.5 Isomeric SMILES
COC(=O)/C(=C(/C1=CC(=C(C=C1Cl)Cl)F)\O)/C=NC2CC2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 105392-26-5

2. 2-(2,4-dichloro-5-fluoro-benzoyl)-3-cyclopylamino-acrylic-methylester

3. Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)prop-2-enoate

4. Methyl 3-cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylate

5. Akos015963437

6. Akos025393444

7. Ps-7018

8. A801226

9. Methyl3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate

10. 2-(2,4-dichloro-5-fluorobenzoyl)-3-cyclopropylaminoacrylic Acid, Methyl Ester, Mixture Of Isomers, 97%

2.3 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 332.2 g/mol
Molecular Formula C14H12Cl2FNO3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass331.0178268 g/mol
Monoisotopic Mass331.0178268 g/mol
Topological Polar Surface Area58.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty