AB01293457-01
TL;DR: AB01293457-01 (CAS 874138-96-2) is a chemical compound with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide
Also Known As: AB01293457-01, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide, (7,8-dimethyl-4-oxochromen-2-yl)-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen -2-yl))carboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
| Molecular Formula | C21H18N2O3S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 4.47412 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.10382 |
| Heavy Atoms | 27 |
| Complexity | 1180.8256 |
Chemical Identifiers
| CAS Number | 874138-96-2 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C |
Product Overview
AB01293457-01 (CAS 874138-96-2), with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide.
Chemical Property Profile of AB01293457-01
Property Insights of AB01293457-01
The XLogP value of 4.47412 indicates that AB01293457-01 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 AB01293457-01. Following Lipinski's Rule of Five, AB01293457-01 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 AB01293457-01?
The CAS number of AB01293457-01 is 874138-96-2.
What is the molecular formula of AB01293457-01?
The molecular formula of AB01293457-01 is C21H18N2O3S.
What is the molecular weight of AB01293457-01?
The molecular weight of AB01293457-01 is 378.10 g/mol.
Where can I buy AB01293457-01?
You can request a quote for AB01293457-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01293457-01?
Yes, KEHONG BIO provides custom synthesis services for AB01293457-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.