BAS 07006111
TL;DR: BAS 07006111 (CAS 674356-09-3) is a chemical compound with molecular formula C20H20ClN3O3S2 and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
Also Known As: BAS 07006111, 3-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-{4-[4-(methylsulfonyl)-1-piperazinyl]phenyl}-1-benzothiophene-2-carboxamide, 3-chloro-N-(4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide, 3-chloro-N-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H20ClN3O3S2 |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 3.8886 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.06348 |
| Heavy Atoms | 29 |
| Complexity | 1151.4331 |
Chemical Identifiers
| CAS Number | 674356-09-3 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
BAS 07006111 (CAS 674356-09-3), with molecular formula C20H20ClN3O3S2 and molecular weight 449.06 g/mol. IUPAC: 3-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 07006111
Property Insights of BAS 07006111
The XLogP value of 3.8886 indicates that BAS 07006111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07006111. Following Lipinski's Rule of Five, BAS 07006111 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 BAS 07006111?
The CAS number of BAS 07006111 is 674356-09-3.
What is the molecular formula of BAS 07006111?
The molecular formula of BAS 07006111 is C20H20ClN3O3S2.
What is the molecular weight of BAS 07006111?
The molecular weight of BAS 07006111 is 449.06 g/mol.
Where can I buy BAS 07006111?
You can request a quote for BAS 07006111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07006111?
Yes, KEHONG BIO provides custom synthesis services for BAS 07006111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.