5-氨基甲苯-2-磺酸
TL;DR: 5-氨基甲苯-2-磺酸 (CAS 133-78-8) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氨基甲苯-2-磺酸
4-amino-2-methylbenzenesulfonic acid
Also Known As: m-Toluidine-4-sulfonic Acid, 4-amino-2-methylbenzenesulfonic acid, 4-Amino-o-toluenesulfonic acid, o-Toluenesulfonic acid, 4-amino-, 5-Aminotoluene-2-sulphonic acid
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 133-78-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N)S(=O)(=O)O |
| InChIKey | ZDIRCGKEOWZBIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氨基甲苯-2-磺酸 (CAS 133-78-8), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: 4-amino-2-methylbenzenesulfonic acid.
Chemical Property Profile of 5-氨基甲苯-2-磺酸
Property Insights of 5-氨基甲苯-2-磺酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氨基甲苯-2-磺酸. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氨基甲苯-2-磺酸. Following Lipinski's Rule of Five, 5-氨基甲苯-2-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 5-氨基甲苯-2-磺酸?
The CAS number of 5-氨基甲苯-2-磺酸 is 133-78-8.
What is the molecular formula of 5-氨基甲苯-2-磺酸?
The molecular formula of 5-氨基甲苯-2-磺酸 is C7H9NO3S.
What is the molecular weight of 5-氨基甲苯-2-磺酸?
The molecular weight of 5-氨基甲苯-2-磺酸 is 187.03 g/mol.
Where can I buy 5-氨基甲苯-2-磺酸?
You can request a quote for 5-氨基甲苯-2-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氨基甲苯-2-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基甲苯-2-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.