2-氨基苯基硫酸酯
TL;DR: 2-氨基苯基硫酸酯 (CAS 40712-56-9) is a chemical compound with molecular formula C6H7NO4S and molecular weight 189.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基苯基硫酸酯
(2-aminophenyl) hydrogen sulfate
Also Known As: 2-Aminophenyl sulfate, Anilinbisulfat, 2-aminophenol sulfate, (2-aminophenyl) hydrogen sulfate, 2-aminophenol hemisulfate
| Molecular Formula | C6H7NO4S |
|---|---|
| Molecular Weight | 189.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.00958 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 40712-56-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)OS(=O)(=O)O |
| InChIKey | VSTZVCJQGSLNLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基苯基硫酸酯 (CAS 40712-56-9), with molecular formula C6H7NO4S and molecular weight 189.01 g/mol. IUPAC: (2-aminophenyl) hydrogen sulfate.
Chemical Property Profile of 2-氨基苯基硫酸酯
Property Insights of 2-氨基苯基硫酸酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基苯基硫酸酯. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基苯基硫酸酯. Following Lipinski's Rule of Five, 2-氨基苯基硫酸酯 has 2 hydrogen bond donor(s) and 5 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 2-氨基苯基硫酸酯?
The CAS number of 2-氨基苯基硫酸酯 is 40712-56-9.
What is the molecular formula of 2-氨基苯基硫酸酯?
The molecular formula of 2-氨基苯基硫酸酯 is C6H7NO4S.
What is the molecular weight of 2-氨基苯基硫酸酯?
The molecular weight of 2-氨基苯基硫酸酯 is 189.01 g/mol.
Where can I buy 2-氨基苯基硫酸酯?
You can request a quote for 2-氨基苯基硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基苯基硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基苯基硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.