S 3I201
TL;DR: S 3I201 (CAS 501920-08-7) is a chemical compound with molecular formula C16H15NO7S and molecular weight 365.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid
Also Known As: Nsc 74859, 2-hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid, STAT3-inhibitor-VI, NCIOpen2_008987, Stat3 Inhibitor VI, S3I-201
| Molecular Formula | C16H15NO7S |
|---|---|
| Molecular Weight | 365.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.05692 |
| Heavy Atoms | 25 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 501920-08-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)O |
| InChIKey | HWNUSGNZBAISFM-UHFFFAOYSA-N |
Product Overview
S 3I201 (CAS 501920-08-7), with molecular formula C16H15NO7S and molecular weight 365.06 g/mol. IUPAC: 2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid.
Chemical Property Profile of S 3I201
Property Insights of S 3I201
The XLogP value of 3.0 indicates that S 3I201 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S 3I201. Following Lipinski's Rule of Five, S 3I201 has 3 hydrogen bond donor(s) and 7 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 S 3I201?
The CAS number of S 3I201 is 501920-08-7.
What is the molecular formula of S 3I201?
The molecular formula of S 3I201 is C16H15NO7S.
What is the molecular weight of S 3I201?
The molecular weight of S 3I201 is 365.06 g/mol.
Where can I buy S 3I201?
You can request a quote for S 3I201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S 3I201?
Yes, KEHONG BIO provides custom synthesis services for S 3I201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.