AB00718668-01
TL;DR: AB00718668-01 (CAS 733007-34-6) is a chemical compound with molecular formula C17H14ClN3O3S and molecular weight 375.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
Also Known As: AB00718668-01, [(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate, [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
| Molecular Formula | C17H14ClN3O3S |
|---|---|
| Molecular Weight | 375.04 g/mol |
| LogP | 3.34248 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.04443 |
| Heavy Atoms | 25 |
| Complexity | 872.5084 |
Chemical Identifiers
| CAS Number | 733007-34-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl)C#N |
Product Overview
AB00718668-01 (CAS 733007-34-6), with molecular formula C17H14ClN3O3S and molecular weight 375.04 g/mol. IUPAC: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of AB00718668-01
Property Insights of AB00718668-01
The XLogP value of 3.34248 indicates that AB00718668-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00718668-01. Following Lipinski's Rule of Five, AB00718668-01 has 1 hydrogen bond donor(s) and 6 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 AB00718668-01?
The CAS number of AB00718668-01 is 733007-34-6.
What is the molecular formula of AB00718668-01?
The molecular formula of AB00718668-01 is C17H14ClN3O3S.
What is the molecular weight of AB00718668-01?
The molecular weight of AB00718668-01 is 375.04 g/mol.
Where can I buy AB00718668-01?
You can request a quote for AB00718668-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00718668-01?
Yes, KEHONG BIO provides custom synthesis services for AB00718668-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.