BAS 11817096
TL;DR: BAS 11817096 (CAS 714261-89-9) is a chemical compound with molecular formula C22H22ClNO5S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
Also Known As: BAS 11817096, 5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide, 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
| Molecular Formula | C22H22ClNO5S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 4.23272 |
| Topological Polar Surface Area | 76.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.09073 |
| Heavy Atoms | 30 |
| Complexity | 1200.241 |
Chemical Identifiers
| CAS Number | 714261-89-9 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N(CC3=CC=C(C=C3)OC)C4CCS(=O)(=O)C4 |
Product Overview
BAS 11817096 (CAS 714261-89-9), with molecular formula C22H22ClNO5S and molecular weight 447.09 g/mol. IUPAC: 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of BAS 11817096
Property Insights of BAS 11817096
The XLogP value of 4.23272 indicates that BAS 11817096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11817096. Following Lipinski's Rule of Five, BAS 11817096 has 0 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 11817096?
The CAS number of BAS 11817096 is 714261-89-9.
What is the molecular formula of BAS 11817096?
The molecular formula of BAS 11817096 is C22H22ClNO5S.
What is the molecular weight of BAS 11817096?
The molecular weight of BAS 11817096 is 447.09 g/mol.
Where can I buy BAS 11817096?
You can request a quote for BAS 11817096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11817096?
Yes, KEHONG BIO provides custom synthesis services for BAS 11817096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.