AB01301717-01
TL;DR: AB01301717-01 (CAS 899387-91-8) is a chemical compound with molecular formula C20H15ClN2O3S and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-4-oxochromene-2-carboxamide
Also Known As: AB01301717-01, 6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide, 6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-4-oxochromene-2-carboxamide, 6-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
| Molecular Formula | C20H15ClN2O3S |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 4.8191 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.0492 |
| Heavy Atoms | 27 |
| Complexity | 1186.6257 |
Chemical Identifiers
| CAS Number | 899387-91-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N |
Product Overview
AB01301717-01 (CAS 899387-91-8), with molecular formula C20H15ClN2O3S and molecular weight 398.05 g/mol. IUPAC: 6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-4-oxochromene-2-carboxamide.
Chemical Property Profile of AB01301717-01
Property Insights of AB01301717-01
The XLogP value of 4.8191 indicates that AB01301717-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01301717-01. Following Lipinski's Rule of Five, AB01301717-01 has 1 hydrogen bond donor(s) and 5 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 AB01301717-01?
The CAS number of AB01301717-01 is 899387-91-8.
What is the molecular formula of AB01301717-01?
The molecular formula of AB01301717-01 is C20H15ClN2O3S.
What is the molecular weight of AB01301717-01?
The molecular weight of AB01301717-01 is 398.05 g/mol.
Where can I buy AB01301717-01?
You can request a quote for AB01301717-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01301717-01?
Yes, KEHONG BIO provides custom synthesis services for AB01301717-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.