BAS 00795817
TL;DR: BAS 00795817 (CAS 326610-98-4) is a chemical compound with molecular formula C23H21ClN2O2S and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorobenzoyl)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00795817, BIM-0032475.P001, 2-[(3-chlorobenzoyl)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, AE-848/36439045, 2-(3-chlorobenzamido)-N-(o-tolyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
| Molecular Formula | C23H21ClN2O2S |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 6.09332 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.10123 |
| Heavy Atoms | 29 |
| Complexity | 1090.2319 |
Chemical Identifiers
| CAS Number | 326610-98-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC(=CC=C4)Cl |
Product Overview
BAS 00795817 (CAS 326610-98-4), with molecular formula C23H21ClN2O2S and molecular weight 424.10 g/mol. IUPAC: 2-[(3-chlorobenzoyl)amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00795817
Property Insights of BAS 00795817
The XLogP value of 6.09332 indicates that BAS 00795817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, BAS 00795817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00795817 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00795817?
The CAS number of BAS 00795817 is 326610-98-4.
What is the molecular formula of BAS 00795817?
The molecular formula of BAS 00795817 is C23H21ClN2O2S.
What is the molecular weight of BAS 00795817?
The molecular weight of BAS 00795817 is 424.10 g/mol.
Where can I buy BAS 00795817?
You can request a quote for BAS 00795817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00795817?
Yes, KEHONG BIO provides custom synthesis services for BAS 00795817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.