AS-871/42122600
TL;DR: AS-871/42122600 (CAS 670259-97-9) is a chemical compound with molecular formula C20H15N3O6S3 and molecular weight 489.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzenesulfonamide
Also Known As: AS-871/42122600, N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzenesulfonamide, N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-3-nitro-4-methoxybenzenesulfonamide, N-(3-benzothiazol-2-ylsulfanyl-4-hydroxy-phenyl)-4-methoxy-3-nitro-benzenesulfonamide, N-[3-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-4-HYDROXYPHENYL]-4-METHOXY-3-NITROBENZENE-1-SULFONAMIDE
| Molecular Formula | C20H15N3O6S3 |
|---|---|
| Molecular Weight | 489.01 g/mol |
| LogP | 4.8707 |
| Topological Polar Surface Area | 131.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.0123 |
| Heavy Atoms | 32 |
| Complexity | 1402.8019 |
Chemical Identifiers
| CAS Number | 670259-97-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-] |
Product Overview
AS-871/42122600 (CAS 670259-97-9), with molecular formula C20H15N3O6S3 and molecular weight 489.01 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzenesulfonamide.
Chemical Property Profile of AS-871/42122600
Property Insights of AS-871/42122600
The XLogP value of 4.8707 indicates that AS-871/42122600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42122600. Following Lipinski's Rule of Five, AS-871/42122600 has 2 hydrogen bond donor(s) and 9 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 AS-871/42122600?
The CAS number of AS-871/42122600 is 670259-97-9.
What is the molecular formula of AS-871/42122600?
The molecular formula of AS-871/42122600 is C20H15N3O6S3.
What is the molecular weight of AS-871/42122600?
The molecular weight of AS-871/42122600 is 489.01 g/mol.
Where can I buy AS-871/42122600?
You can request a quote for AS-871/42122600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42122600?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42122600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.