3-Chloro-2-butanol
TL;DR: 3-Chloro-2-butanol (CAS 563-84-8) is a chemical compound with molecular formula C4H9ClO and molecular weight 108.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobutan-2-ol
Also Known As: 3-chlorobutan-2-ol, 3-CHLORO-2-BUTANOL, 2-Butanol, 3-chloro-, 2-Butanol,3-chloro, 3-chloro-2-hydroxybutane
| Molecular Formula | C4H9ClO |
|---|---|
| Molecular Weight | 108.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.034195 |
| Heavy Atoms | 6 |
| Complexity | 38.0 |
Chemical Identifiers
| CAS Number | 563-84-8 |
|---|---|
| SMILES | CC(C(C)Cl)O |
| InChIKey | XKEHIUIIEXXHJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-butanol (CAS 563-84-8), with molecular formula C4H9ClO and molecular weight 108.03 g/mol. IUPAC: 3-chlorobutan-2-ol.
Chemical Property Profile of 3-Chloro-2-butanol
Property Insights of 3-Chloro-2-butanol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-butanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Chloro-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-butanol has 1 hydrogen bond donor(s) and 1 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-butanol?
The CAS number of 3-Chloro-2-butanol is 563-84-8.
What is the molecular formula of 3-Chloro-2-butanol?
The molecular formula of 3-Chloro-2-butanol is C4H9ClO.
What is the molecular weight of 3-Chloro-2-butanol?
The molecular weight of 3-Chloro-2-butanol is 108.03 g/mol.
Where can I buy 3-Chloro-2-butanol?
You can request a quote for 3-Chloro-2-butanol 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-butanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.