4-((甲苯基)氨基)苯磺酸
TL;DR: 4-((甲苯基)氨基)苯磺酸 (CAS 23117-23-9) 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-((甲苯基)氨基)苯磺酸
4-(benzylamino)benzenesulfonic acid
Also Known As: N-Benzylsulfanilic acid, N-benzyl-sulfanilic acid, 4-((Tolyl)amino)benzenesulphonic acid, 4-(benzylamino)benzenesulfonic acid, 4-(Benzylamino)benzene-1-sulfonic acid
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 23117-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | LJPQSZVZLDUAQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((甲苯基)氨基)苯磺酸 (CAS 23117-23-9), with molecular formula C13H13NO3S and molecular weight 263.06 g/mol. IUPAC: 4-(benzylamino)benzenesulfonic acid.
Chemical Property Profile of 4-((甲苯基)氨基)苯磺酸
Property Insights of 4-((甲苯基)氨基)苯磺酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((甲苯基)氨基)苯磺酸. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((甲苯基)氨基)苯磺酸. Following Lipinski's Rule of Five, 4-((甲苯基)氨基)苯磺酸 has 2 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-((甲苯基)氨基)苯磺酸?
The CAS number of 4-((甲苯基)氨基)苯磺酸 is 23117-23-9.
What is the molecular formula of 4-((甲苯基)氨基)苯磺酸?
The molecular formula of 4-((甲苯基)氨基)苯磺酸 is C13H13NO3S.
What is the molecular weight of 4-((甲苯基)氨基)苯磺酸?
The molecular weight of 4-((甲苯基)氨基)苯磺酸 is 263.06 g/mol.
Where can I buy 4-((甲苯基)氨基)苯磺酸?
You can request a quote for 4-((甲苯基)氨基)苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((甲苯基)氨基)苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-((甲苯基)氨基)苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.