3-羟基磺酰氧基苯甲酸
TL;DR: 3-羟基磺酰氧基苯甲酸 (CAS 76496-12-3) is a chemical compound with molecular formula C7H6O7S and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基磺酰氧基苯甲酸
3-hydroxy-4-sulfooxybenzoic acid
Also Known As: 3-Hsob, 3-Hydroxy-sulfonyloxybenzoic acid, 3-hydroxy-4-(sulfooxy)benzoic acid, 3-hydroxy-4-sulfooxybenzoic acid, Protocatechuic acid 4-sulfate
| Molecular Formula | C7H6O7S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.98343 |
| Heavy Atoms | 15 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 76496-12-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)O)OS(=O)(=O)O |
| InChIKey | NGQYUDIZIPNWJV-UHFFFAOYSA-N |
Product Overview
3-羟基磺酰氧基苯甲酸 (CAS 76496-12-3), with molecular formula C7H6O7S and molecular weight 233.98 g/mol. IUPAC: 3-hydroxy-4-sulfooxybenzoic acid.
Chemical Property Profile of 3-羟基磺酰氧基苯甲酸
Property Insights of 3-羟基磺酰氧基苯甲酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基磺酰氧基苯甲酸. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-羟基磺酰氧基苯甲酸. Following Lipinski's Rule of Five, 3-羟基磺酰氧基苯甲酸 has 3 hydrogen bond donor(s) and 7 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-羟基磺酰氧基苯甲酸?
The CAS number of 3-羟基磺酰氧基苯甲酸 is 76496-12-3.
What is the molecular formula of 3-羟基磺酰氧基苯甲酸?
The molecular formula of 3-羟基磺酰氧基苯甲酸 is C7H6O7S.
What is the molecular weight of 3-羟基磺酰氧基苯甲酸?
The molecular weight of 3-羟基磺酰氧基苯甲酸 is 233.98 g/mol.
Where can I buy 3-羟基磺酰氧基苯甲酸?
You can request a quote for 3-羟基磺酰氧基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基磺酰氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基磺酰氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.