4-Aminophenyl 4-methylbenzenesulfonate
TL;DR: 4-Aminophenyl 4-methylbenzenesulfonate (CAS 3899-93-2) is a chemical compound with molecular formula C13H13NO3S and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminophenyl) 4-methylbenzenesulfonate
Also Known As: 4-Aminophenyl 4-methylbenzenesulfonate, (4-aminophenyl) 4-methylbenzenesulfonate, p-toluenesulfonic acid p-aminophenyl ester, Toluene-4-sulfonic acid 4-amino-phenyl ester, 4-aminophenyl 4-methyl-1-benzenesulfonate
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 3899-93-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N |
| InChIKey | CUDKLDVRGQPLQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aminophenyl 4-methylbenzenesulfonate (CAS 3899-93-2), with molecular formula C13H13NO3S and molecular weight 263.06 g/mol. IUPAC: (4-aminophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 4-Aminophenyl 4-methylbenzenesulfonate
Property Insights of 4-Aminophenyl 4-methylbenzenesulfonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminophenyl 4-methylbenzenesulfonate. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Aminophenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 4-Aminophenyl 4-methylbenzenesulfonate 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 4-Aminophenyl 4-methylbenzenesulfonate?
The CAS number of 4-Aminophenyl 4-methylbenzenesulfonate is 3899-93-2.
What is the molecular formula of 4-Aminophenyl 4-methylbenzenesulfonate?
The molecular formula of 4-Aminophenyl 4-methylbenzenesulfonate is C13H13NO3S.
What is the molecular weight of 4-Aminophenyl 4-methylbenzenesulfonate?
The molecular weight of 4-Aminophenyl 4-methylbenzenesulfonate is 263.06 g/mol.
Where can I buy 4-Aminophenyl 4-methylbenzenesulfonate?
You can request a quote for 4-Aminophenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminophenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminophenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.