AB00672829-01
TL;DR: AB00672829-01 (CAS 302803-03-8) is a chemical compound with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AB00672829-01, methyl 2-[(3-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ME 2-((3-CL-BENZOYL)AMINO)-5,6-DIHYDRO-4H-CYCLOPENTA(B)THIOPHENE-3-CARBOXYLATE, METHYL 2-(3-CHLOROBENZAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-(3-chlorobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C16H14ClNO3S |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.0383 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 302803-03-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=CC=C3)Cl |
| InChIKey | YIWXSMMMFJXEGS-UHFFFAOYSA-N |
Product Overview
AB00672829-01 (CAS 302803-03-8), with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol. IUPAC: methyl 2-[(3-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00672829-01
Property Insights of AB00672829-01
The XLogP value of 4.5 indicates that AB00672829-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672829-01. Following Lipinski's Rule of Five, AB00672829-01 has 1 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 AB00672829-01?
The CAS number of AB00672829-01 is 302803-03-8.
What is the molecular formula of AB00672829-01?
The molecular formula of AB00672829-01 is C16H14ClNO3S.
What is the molecular weight of AB00672829-01?
The molecular weight of AB00672829-01 is 335.04 g/mol.
Where can I buy AB00672829-01?
You can request a quote for AB00672829-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672829-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672829-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.