3-Chloro-2-methyl-1,2-propanediol
TL;DR: 3-Chloro-2-methyl-1,2-propanediol (CAS 597-33-1) is a chemical compound with molecular formula C4H9ClO2 and molecular weight 124.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-methylpropane-1,2-diol
Also Known As: 3-Chloro-2-methylpropane-1,2-diol, 3-Chloro-2-methyl-1,2-propanediol, 1,2-Propanediol, 3-chloro-2-methyl-, 3-chloro-2-methyl-propane-1,2-diol, 2-Methyl-3-chloro-1,2-propanediol
| Molecular Formula | C4H9ClO2 |
|---|---|
| Molecular Weight | 124.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.029106 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 597-33-1 |
|---|---|
| SMILES | CC(CO)(CCl)O |
| InChIKey | AVVXLRRTQZKHSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-methyl-1,2-propanediol (CAS 597-33-1), with molecular formula C4H9ClO2 and molecular weight 124.03 g/mol. IUPAC: 3-chloro-2-methylpropane-1,2-diol.
Chemical Property Profile of 3-Chloro-2-methyl-1,2-propanediol
Property Insights of 3-Chloro-2-methyl-1,2-propanediol
The XLogP value of -0.3 indicates that 3-Chloro-2-methyl-1,2-propanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Chloro-2-methyl-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methyl-1,2-propanediol has 2 hydrogen bond donor(s) and 2 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-2-methyl-1,2-propanediol?
The CAS number of 3-Chloro-2-methyl-1,2-propanediol is 597-33-1.
What is the molecular formula of 3-Chloro-2-methyl-1,2-propanediol?
The molecular formula of 3-Chloro-2-methyl-1,2-propanediol is C4H9ClO2.
What is the molecular weight of 3-Chloro-2-methyl-1,2-propanediol?
The molecular weight of 3-Chloro-2-methyl-1,2-propanediol is 124.03 g/mol.
Where can I buy 3-Chloro-2-methyl-1,2-propanediol?
You can request a quote for 3-Chloro-2-methyl-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-methyl-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methyl-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.