Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-
TL;DR: Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)- (CAS 68227-75-8) is a chemical compound with molecular formula C13H13NO5S2 and molecular weight 327.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(4-methylphenyl)sulfonylbenzenesulfonic acid
Also Known As: 2-Amino-4'-methyl-4-diphenylsulfonesulfonic acid, Benzenesulfonic acid, 3-amino-4-[(4-methylphenyl)sulfonyl]-, 3-amino-4-[(4-methylphenyl)sulfonyl]benzenesulfonic acid, 3-amino-4-(4-methylphenyl)sulfonylbenzenesulfonic acid, Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-
| Molecular Formula | C13H13NO5S2 |
|---|---|
| Molecular Weight | 327.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.02353 |
| Heavy Atoms | 21 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 68227-75-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)O)N |
| InChIKey | FBQWWILKAOYQGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)- (CAS 68227-75-8), with molecular formula C13H13NO5S2 and molecular weight 327.02 g/mol. IUPAC: 3-amino-4-(4-methylphenyl)sulfonylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-
Property Insights of Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)- has 2 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 Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-?
The CAS number of Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)- is 68227-75-8.
What is the molecular formula of Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-?
The molecular formula of Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)- is C13H13NO5S2.
What is the molecular weight of Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-?
The molecular weight of Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)- is 327.02 g/mol.
Where can I buy Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-?
You can request a quote for Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.