BAS 00795818
TL;DR: BAS 00795818 (CAS 333358-85-3) is a chemical compound with molecular formula C22H18BrClN2O2S and molecular weight 488.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-2-[(3-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00795818, N-(3-bromophenyl)-2-[(3-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, AE-848/36439046, N-(3-bromophenyl)-2-(3-chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, N-(3-bromophenyl)-2-{[(3-chlorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H18BrClN2O2S |
|---|---|
| Molecular Weight | 488.00 g/mol |
| LogP | 6.5474 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.9961 |
| Heavy Atoms | 29 |
| Complexity | 1096.1664 |
Chemical Identifiers
| CAS Number | 333358-85-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)NC4=CC(=CC=C4)Br |
Product Overview
BAS 00795818 (CAS 333358-85-3), with molecular formula C22H18BrClN2O2S and molecular weight 488.00 g/mol. IUPAC: N-(3-bromophenyl)-2-[(3-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00795818
Property Insights of BAS 00795818
The XLogP value of 6.5474 indicates that BAS 00795818 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 00795818 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00795818 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 00795818?
The CAS number of BAS 00795818 is 333358-85-3.
What is the molecular formula of BAS 00795818?
The molecular formula of BAS 00795818 is C22H18BrClN2O2S.
What is the molecular weight of BAS 00795818?
The molecular weight of BAS 00795818 is 488.00 g/mol.
Where can I buy BAS 00795818?
You can request a quote for BAS 00795818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00795818?
Yes, KEHONG BIO provides custom synthesis services for BAS 00795818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.