2-Chlorobenzenemethanol hydrogen sulfate
TL;DR: 2-Chlorobenzenemethanol hydrogen sulfate (CAS 85680-02-0) is a chemical compound with molecular formula C7H7ClO4S and molecular weight 221.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)methyl hydrogen sulfate
Also Known As: 2-Chlorobenzenemethanol hydrogen sulfate, (2-chlorophenyl)methyl hydrogen sulfate, Benzenemethanol, 2-chloro-, hydrogen sulfate
| Molecular Formula | C7H7ClO4S |
|---|---|
| Molecular Weight | 221.98 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.97536 |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 85680-02-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COS(=O)(=O)O)Cl |
| InChIKey | MOWAGKBZAYDSDS-UHFFFAOYSA-N |
Product Overview
2-Chlorobenzenemethanol hydrogen sulfate (CAS 85680-02-0), with molecular formula C7H7ClO4S and molecular weight 221.98 g/mol. IUPAC: (2-chlorophenyl)methyl hydrogen sulfate.
Chemical Property Profile of 2-Chlorobenzenemethanol hydrogen sulfate
Property Insights of 2-Chlorobenzenemethanol hydrogen sulfate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorobenzenemethanol hydrogen sulfate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chlorobenzenemethanol hydrogen sulfate. Following Lipinski's Rule of Five, 2-Chlorobenzenemethanol hydrogen sulfate has 1 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 2-Chlorobenzenemethanol hydrogen sulfate?
The CAS number of 2-Chlorobenzenemethanol hydrogen sulfate is 85680-02-0.
What is the molecular formula of 2-Chlorobenzenemethanol hydrogen sulfate?
The molecular formula of 2-Chlorobenzenemethanol hydrogen sulfate is C7H7ClO4S.
What is the molecular weight of 2-Chlorobenzenemethanol hydrogen sulfate?
The molecular weight of 2-Chlorobenzenemethanol hydrogen sulfate is 221.98 g/mol.
Where can I buy 2-Chlorobenzenemethanol hydrogen sulfate?
You can request a quote for 2-Chlorobenzenemethanol hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorobenzenemethanol hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobenzenemethanol hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.