ChemDiv3_001164
TL;DR: ChemDiv3_001164 (CAS 314282-77-4) is a chemical compound with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: ChemDiv3_001164, BAS 00675447, 4-((3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino)-4-oxobut-2-enoic acid, 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid, (2E)-3-({3-CYANO-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}CARBAMOYL)PROP-2-ENOIC ACID
| Molecular Formula | C12H10N2O3S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 1.68778 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0412 |
| Heavy Atoms | 18 |
| Complexity | 580.87836 |
Chemical Identifiers
| CAS Number | 314282-77-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)C=CC(=O)O |
Product Overview
ChemDiv3_001164 (CAS 314282-77-4), with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol. IUPAC: 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of ChemDiv3_001164
Property Insights of ChemDiv3_001164
The XLogP value of 1.68778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_001164. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001164. Following Lipinski's Rule of Five, ChemDiv3_001164 has 2 hydrogen bond donor(s) and 4 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 ChemDiv3_001164?
The CAS number of ChemDiv3_001164 is 314282-77-4.
What is the molecular formula of ChemDiv3_001164?
The molecular formula of ChemDiv3_001164 is C12H10N2O3S.
What is the molecular weight of ChemDiv3_001164?
The molecular weight of ChemDiv3_001164 is 262.04 g/mol.
Where can I buy ChemDiv3_001164?
You can request a quote for ChemDiv3_001164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001164?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.