3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid
TL;DR: 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid (CAS 733696-32-7) is a chemical compound with molecular formula C10H13ClO4S and molecular weight 264.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-hydroxy-6-methyl-3-propan-2-ylbenzenesulfonic acid
Also Known As: 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid, 5-chloro-2-hydroxy-6-methyl-3-propan-2-ylbenzenesulfonic acid, 5-chloro-2-hydroxy-6-methyl-3-propan-2-yl-benzenesulfonic Acid
| Molecular Formula | C10H13ClO4S |
|---|---|
| Molecular Weight | 264.02 g/mol |
| LogP | 2.72412 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.0223 |
| Heavy Atoms | 16 |
| Complexity | 520.11084 |
Chemical Identifiers
| CAS Number | 733696-32-7 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1S(=O)(=O)O)O)C(C)C)Cl |
Product Overview
3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid (CAS 733696-32-7), with molecular formula C10H13ClO4S and molecular weight 264.02 g/mol. IUPAC: 5-chloro-2-hydroxy-6-methyl-3-propan-2-ylbenzenesulfonic acid.
Chemical Property Profile of 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid
Property Insights of 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid
The XLogP value of 2.72412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid. Following Lipinski's Rule of Five, 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid has 2 hydrogen bond donor(s) and 3 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-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid?
The CAS number of 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid is 733696-32-7.
What is the molecular formula of 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid?
The molecular formula of 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid is C10H13ClO4S.
What is the molecular weight of 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid?
The molecular weight of 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid is 264.02 g/mol.
Where can I buy 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid?
You can request a quote for 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-hydroxy-2-methyl-5-(1-methylethyl)-benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.