2-Hydroxy-5-sulfobenzoic acid-methane(1:2)
TL;DR: 2-Hydroxy-5-sulfobenzoic acid-methane(1:2) (CAS 5965-83-3) is a chemical compound with molecular formula C9H14O6S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-sulfobenzoic acid;methane
Also Known As: 5-Sulfosalicylic acid dihydrate, 5-Sulfosalicilic acid dihydrate, 2-hydroxy-5-sulfobenzoic acid- methane(1:2), 2-hydroxy-5-sulfobenzoic acid; methane, 2-Hydroxy-5-sulfobenzoic acid--methane (1/2)
| Molecular Formula | C9H14O6S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 1.61 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.05112 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 5965-83-3 |
|---|---|
| SMILES | C.C.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O |
| InChIKey | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-5-sulfobenzoic acid-methane(1:2) (CAS 5965-83-3), with molecular formula C9H14O6S and molecular weight 250.05 g/mol. IUPAC: 2-hydroxy-5-sulfobenzoic acid;methane.
Chemical Property Profile of 2-Hydroxy-5-sulfobenzoic acid-methane(1:2)
Property Insights of 2-Hydroxy-5-sulfobenzoic acid-methane(1:2)
The XLogP value of 1.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5-sulfobenzoic acid-methane(1:2). The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-5-sulfobenzoic acid-methane(1:2). Following Lipinski's Rule of Five, 2-Hydroxy-5-sulfobenzoic acid-methane(1:2) 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 2-Hydroxy-5-sulfobenzoic acid-methane(1:2)?
The CAS number of 2-Hydroxy-5-sulfobenzoic acid-methane(1:2) is 5965-83-3.
What is the molecular formula of 2-Hydroxy-5-sulfobenzoic acid-methane(1:2)?
The molecular formula of 2-Hydroxy-5-sulfobenzoic acid-methane(1:2) is C9H14O6S.
What is the molecular weight of 2-Hydroxy-5-sulfobenzoic acid-methane(1:2)?
The molecular weight of 2-Hydroxy-5-sulfobenzoic acid-methane(1:2) is 250.05 g/mol.
Where can I buy 2-Hydroxy-5-sulfobenzoic acid-methane(1:2)?
You can request a quote for 2-Hydroxy-5-sulfobenzoic acid-methane(1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-sulfobenzoic acid-methane(1:2)?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-sulfobenzoic acid-methane(1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.