A2238/0094237
TL;DR: A2238/0094237 (CAS 356586-10-2) is a chemical compound with molecular formula C12H7ClF4N2O2 and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate
Also Known As: A2238/0094237, (E)-methyl 3-((3-chloro-4-fluorophenyl)amino)-2-cyano-4,4,4-trifluorobut-2-enoate, methyl (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-cyano-4,4,4-trifluorobut-2-enoate, METHYL (E)-3-(3-CHLORO-4-FLUOROANILINO)-2-CYANO-4,4,4-TRIFLUORO-2-BUTENOATE, methyl (E)-3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate
| Molecular Formula | C12H7ClF4N2O2 |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0132 |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 356586-10-2 |
|---|---|
| SMILES | COC(=O)/C(=C(\C(F)(F)F)/NC1=CC(=C(C=C1)F)Cl)/C#N |
| InChIKey | RAYNIKPBKYEAGZ-JXMROGBWSA-N |
Product Overview
A2238/0094237 (CAS 356586-10-2), with molecular formula C12H7ClF4N2O2 and molecular weight 322.01 g/mol. IUPAC: methyl (E)-3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate.
Chemical Property Profile of A2238/0094237
Property Insights of A2238/0094237
The XLogP value of 4.0 indicates that A2238/0094237 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A2238/0094237. Following Lipinski's Rule of Five, A2238/0094237 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2238/0094237?
The CAS number of A2238/0094237 is 356586-10-2.
What is the molecular formula of A2238/0094237?
The molecular formula of A2238/0094237 is C12H7ClF4N2O2.
What is the molecular weight of A2238/0094237?
The molecular weight of A2238/0094237 is 322.01 g/mol.
Where can I buy A2238/0094237?
You can request a quote for A2238/0094237 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2238/0094237?
Yes, KEHONG BIO provides custom synthesis services for A2238/0094237 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.