5-氨基-2-氯-4-磺基苯甲酸
TL;DR: 5-氨基-2-氯-4-磺基苯甲酸 (CAS 5855-78-7) is a chemical compound with molecular formula C7H6ClNO5S and molecular weight 250.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氨基-2-氯-4-磺基苯甲酸
5-amino-2-chloro-4-sulfobenzoic acid
Also Known As: 5-amino-2-chloro-4-sulfobenzoic acid, C.A. acid, C.A.acid, Benzoic acid, 5-amino-2-chloro-4-sulfo-, 5-Amino-2-chloro-4-sulphobenzoic acid
| Molecular Formula | C7H6ClNO5S |
|---|---|
| Molecular Weight | 250.97 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.96552 |
| Heavy Atoms | 15 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 5855-78-7 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)S(=O)(=O)O)Cl)C(=O)O |
| InChIKey | JGSAMPZLJLDOKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氨基-2-氯-4-磺基苯甲酸 (CAS 5855-78-7), with molecular formula C7H6ClNO5S and molecular weight 250.97 g/mol. IUPAC: 5-amino-2-chloro-4-sulfobenzoic acid.
Chemical Property Profile of 5-氨基-2-氯-4-磺基苯甲酸
Property Insights of 5-氨基-2-氯-4-磺基苯甲酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氨基-2-氯-4-磺基苯甲酸. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氨基-2-氯-4-磺基苯甲酸. Following Lipinski's Rule of Five, 5-氨基-2-氯-4-磺基苯甲酸 has 3 hydrogen bond donor(s) and 6 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-2-氯-4-磺基苯甲酸?
The CAS number of 5-氨基-2-氯-4-磺基苯甲酸 is 5855-78-7.
What is the molecular formula of 5-氨基-2-氯-4-磺基苯甲酸?
The molecular formula of 5-氨基-2-氯-4-磺基苯甲酸 is C7H6ClNO5S.
What is the molecular weight of 5-氨基-2-氯-4-磺基苯甲酸?
The molecular weight of 5-氨基-2-氯-4-磺基苯甲酸 is 250.97 g/mol.
Where can I buy 5-氨基-2-氯-4-磺基苯甲酸?
You can request a quote for 5-氨基-2-氯-4-磺基苯甲酸 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-2-氯-4-磺基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基-2-氯-4-磺基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.