4-磺基苯甲酸
TL;DR: 4-磺基苯甲酸 (CAS 636-78-2) is a chemical compound with molecular formula C7H6O5S and molecular weight 201.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-磺基苯甲酸
4-sulfobenzoic acid
Also Known As: 4-Sulfobenzoic acid, 4-Sulfobenzoate, p-Sulfobenzoic acid, 4-sulfobenzoicacid, para-Sulfobenzoic acid
| Molecular Formula | C7H6O5S |
|---|---|
| Molecular Weight | 201.99 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.99359 |
| Heavy Atoms | 13 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 636-78-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S(=O)(=O)O |
| InChIKey | HWAQOZGATRIYQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-磺基苯甲酸 (CAS 636-78-2), with molecular formula C7H6O5S and molecular weight 201.99 g/mol. IUPAC: 4-sulfobenzoic acid.
Chemical Property Profile of 4-磺基苯甲酸
Property Insights of 4-磺基苯甲酸
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-磺基苯甲酸. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-磺基苯甲酸. Following Lipinski's Rule of Five, 4-磺基苯甲酸 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 4-磺基苯甲酸?
The CAS number of 4-磺基苯甲酸 is 636-78-2.
What is the molecular formula of 4-磺基苯甲酸?
The molecular formula of 4-磺基苯甲酸 is C7H6O5S.
What is the molecular weight of 4-磺基苯甲酸?
The molecular weight of 4-磺基苯甲酸 is 201.99 g/mol.
Where can I buy 4-磺基苯甲酸?
You can request a quote for 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 4-磺基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-磺基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.