Ammonium 3-hydroxy-5-methylbenzenesulphonate
TL;DR: Ammonium 3-hydroxy-5-methylbenzenesulphonate (CAS 97404-11-0) is a chemical compound with molecular formula C7H11NO4S and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 3-hydroxy-5-methylbenzenesulfonate
Also Known As: Ammonium 3-hydroxy-5-methylbenzenesulphonate, EINECS 306-774-9, ammonium3-hydroxy-5-methylbenzenesulphonate, azanium 3-hydroxy-5-methylbenzenesulfonate, Ammonium 3-hydroxy-5-methylbenzenesulfonate
| Molecular Formula | C7H11NO4S |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 0.98092 |
| Topological Polar Surface Area | 113.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.04088 |
| Heavy Atoms | 13 |
| Complexity | 378.7036 |
Chemical Identifiers
| CAS Number | 97404-11-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)S(=O)(=O)[O-])O.[NH4+] |
Product Overview
Ammonium 3-hydroxy-5-methylbenzenesulphonate (CAS 97404-11-0), with molecular formula C7H11NO4S and molecular weight 205.04 g/mol. IUPAC: azanium 3-hydroxy-5-methylbenzenesulfonate.
Chemical Property Profile of Ammonium 3-hydroxy-5-methylbenzenesulphonate
Property Insights of Ammonium 3-hydroxy-5-methylbenzenesulphonate
The XLogP value of 0.98092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium 3-hydroxy-5-methylbenzenesulphonate. The TPSA of 113.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium 3-hydroxy-5-methylbenzenesulphonate. Following Lipinski's Rule of Five, Ammonium 3-hydroxy-5-methylbenzenesulphonate has 2 hydrogen bond donor(s) and 4 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 Ammonium 3-hydroxy-5-methylbenzenesulphonate?
The CAS number of Ammonium 3-hydroxy-5-methylbenzenesulphonate is 97404-11-0.
What is the molecular formula of Ammonium 3-hydroxy-5-methylbenzenesulphonate?
The molecular formula of Ammonium 3-hydroxy-5-methylbenzenesulphonate is C7H11NO4S.
What is the molecular weight of Ammonium 3-hydroxy-5-methylbenzenesulphonate?
The molecular weight of Ammonium 3-hydroxy-5-methylbenzenesulphonate is 205.04 g/mol.
Where can I buy Ammonium 3-hydroxy-5-methylbenzenesulphonate?
You can request a quote for Ammonium 3-hydroxy-5-methylbenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium 3-hydroxy-5-methylbenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium 3-hydroxy-5-methylbenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.