3-氨基-5-氯-4-羟基苯磺酸
TL;DR: 3-氨基-5-氯-4-羟基苯磺酸 (CAS 5857-94-3) is a chemical compound with molecular formula C6H6ClNO4S and molecular weight 222.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-5-氯-4-羟基苯磺酸
3-amino-5-chloro-4-hydroxybenzenesulfonic acid
Also Known As: 3-Amino-5-chloro-4-hydroxybenzenesulfonic acid, 3-Bromonitrobenzene, 5-Chloro-4-hydroxymetanilic acid, 6-Chloro-2-aminophenol-4-sulfonic acid, Benzenesulfonic acid, 3-amino-5-chloro-4-hydroxy-
| Molecular Formula | C6H6ClNO4S |
|---|---|
| Molecular Weight | 222.97 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.97061 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 5857-94-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1N)O)Cl)S(=O)(=O)O |
| InChIKey | QGTXBWMKRGHPDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-5-氯-4-羟基苯磺酸 (CAS 5857-94-3), with molecular formula C6H6ClNO4S and molecular weight 222.97 g/mol. IUPAC: 3-amino-5-chloro-4-hydroxybenzenesulfonic acid.
Chemical Property Profile of 3-氨基-5-氯-4-羟基苯磺酸
Property Insights of 3-氨基-5-氯-4-羟基苯磺酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-5-氯-4-羟基苯磺酸. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基-5-氯-4-羟基苯磺酸. Following Lipinski's Rule of Five, 3-氨基-5-氯-4-羟基苯磺酸 has 3 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 3-氨基-5-氯-4-羟基苯磺酸?
The CAS number of 3-氨基-5-氯-4-羟基苯磺酸 is 5857-94-3.
What is the molecular formula of 3-氨基-5-氯-4-羟基苯磺酸?
The molecular formula of 3-氨基-5-氯-4-羟基苯磺酸 is C6H6ClNO4S.
What is the molecular weight of 3-氨基-5-氯-4-羟基苯磺酸?
The molecular weight of 3-氨基-5-氯-4-羟基苯磺酸 is 222.97 g/mol.
Where can I buy 3-氨基-5-氯-4-羟基苯磺酸?
You can request a quote for 3-氨基-5-氯-4-羟基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基-5-氯-4-羟基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-5-氯-4-羟基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.