BAS 02826822
TL;DR: BAS 02826822 (CAS 333741-64-3) is a chemical compound with molecular formula C22H27N3O6S and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide
Also Known As: BAS 02826822, N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide
| Molecular Formula | C22H27N3O6S |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 3.50972 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.16205 |
| Heavy Atoms | 32 |
| Complexity | 1077.3451 |
Chemical Identifiers
| CAS Number | 333741-64-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
BAS 02826822 (CAS 333741-64-3), with molecular formula C22H27N3O6S and molecular weight 461.16 g/mol. IUPAC: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of BAS 02826822
Property Insights of BAS 02826822
The XLogP value of 3.50972 indicates that BAS 02826822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02826822. Following Lipinski's Rule of Five, BAS 02826822 has 0 hydrogen bond donor(s) and 6 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 02826822?
The CAS number of BAS 02826822 is 333741-64-3.
What is the molecular formula of BAS 02826822?
The molecular formula of BAS 02826822 is C22H27N3O6S.
What is the molecular weight of BAS 02826822?
The molecular weight of BAS 02826822 is 461.16 g/mol.
Where can I buy BAS 02826822?
You can request a quote for BAS 02826822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02826822?
Yes, KEHONG BIO provides custom synthesis services for BAS 02826822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.