3-Chloro-1,2-butanediol
TL;DR: 3-Chloro-1,2-butanediol (CAS 53496-34-7) 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-chlorobutane-1,2-diol
Also Known As: 3-Chlorobutane-1,2-diol, 3-chloro-1,2-butanediol, 1,2-Butanediol,3-chloro-, 3-chloro-butane-1,2-diol, 258-585-5
| Molecular Formula | C4H9ClO2 |
|---|---|
| Molecular Weight | 124.03 g/mol |
| LogP | -0.1 |
| 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 | 49.0 |
Chemical Identifiers
| CAS Number | 53496-34-7 |
|---|---|
| SMILES | CC(C(CO)O)Cl |
| InChIKey | CWHYTESDVACLIN-UHFFFAOYSA-N |
Product Overview
3-Chloro-1,2-butanediol (CAS 53496-34-7), with molecular formula C4H9ClO2 and molecular weight 124.03 g/mol. IUPAC: 3-chlorobutane-1,2-diol.
Chemical Property Profile of 3-Chloro-1,2-butanediol
Property Insights of 3-Chloro-1,2-butanediol
The XLogP value of -0.1 indicates that 3-Chloro-1,2-butanediol 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-1,2-butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1,2-butanediol 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-1,2-butanediol?
The CAS number of 3-Chloro-1,2-butanediol is 53496-34-7.
What is the molecular formula of 3-Chloro-1,2-butanediol?
The molecular formula of 3-Chloro-1,2-butanediol is C4H9ClO2.
What is the molecular weight of 3-Chloro-1,2-butanediol?
The molecular weight of 3-Chloro-1,2-butanediol is 124.03 g/mol.
Where can I buy 3-Chloro-1,2-butanediol?
You can request a quote for 3-Chloro-1,2-butanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1,2-butanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1,2-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.