BIM-0042627.P001
TL;DR: BIM-0042627.P001 (CAS 312948-69-9) is a chemical compound with molecular formula C22H21ClN2O3S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BIM-0042627.P001, A2086/0087727, 2-[(2-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(2-chlorobenzoyl)amino]-N-(2-furylmethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(2-chlorophenyl)carbonyl]amino}-N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H21ClN2O3S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 5.3016 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.09613 |
| Heavy Atoms | 29 |
| Complexity | 1042.5171 |
Chemical Identifiers
| CAS Number | 312948-69-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
BIM-0042627.P001 (CAS 312948-69-9), with molecular formula C22H21ClN2O3S and molecular weight 428.10 g/mol. IUPAC: 2-[(2-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BIM-0042627.P001
Property Insights of BIM-0042627.P001
The XLogP value of 5.3016 indicates that BIM-0042627.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042627.P001. Following Lipinski's Rule of Five, BIM-0042627.P001 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0042627.P001?
The CAS number of BIM-0042627.P001 is 312948-69-9.
What is the molecular formula of BIM-0042627.P001?
The molecular formula of BIM-0042627.P001 is C22H21ClN2O3S.
What is the molecular weight of BIM-0042627.P001?
The molecular weight of BIM-0042627.P001 is 428.10 g/mol.
Where can I buy BIM-0042627.P001?
You can request a quote for BIM-0042627.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042627.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042627.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.