Phenyl sulfanilate
TL;DR: Phenyl sulfanilate (CAS 40307-20-8) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-aminobenzenesulfonate
Also Known As: phenyl 4-aminobenzenesulfonate, PHENYL SULFANILATE, 4-phenoxysulfonylaniline, Phenyl 4-aminobenzene-1-sulfonate, 1-aminobenzene-4-sulphonic acid phenyl ester
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 2.0365 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 591.4077 |
Chemical Identifiers
| CAS Number | 40307-20-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N |
Product Overview
Phenyl sulfanilate (CAS 40307-20-8), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: phenyl 4-aminobenzenesulfonate.
Chemical Property Profile of Phenyl sulfanilate
Property Insights of Phenyl sulfanilate
The XLogP value of 2.0365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl sulfanilate. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl sulfanilate. Following Lipinski's Rule of Five, Phenyl sulfanilate has 1 hydrogen bond donor(s) and 4 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 Phenyl sulfanilate?
The CAS number of Phenyl sulfanilate is 40307-20-8.
What is the molecular formula of Phenyl sulfanilate?
The molecular formula of Phenyl sulfanilate is C12H11NO3S.
What is the molecular weight of Phenyl sulfanilate?
The molecular weight of Phenyl sulfanilate is 249.05 g/mol.
Where can I buy Phenyl sulfanilate?
You can request a quote for Phenyl sulfanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl sulfanilate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl sulfanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.