4-Chloro-1-butanol
TL;DR: 4-Chloro-1-butanol (CAS 928-51-8) 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.
4-chlorobutan-1-ol
Also Known As: 4-Chloro-1-butanol, 4-Chlorobutan-1-ol, 4-Chlorobutanol, Tetramethylene chlorohydrin, Chlorobutanol
| Molecular Formula | C4H9ClO |
|---|---|
| Molecular Weight | 108.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 108.034195 |
| Heavy Atoms | 6 |
| Complexity | 23.0 |
| Density | 1.088 @ 20°C |
| Vapor Pressure | 0.35 [mmHg] |
Chemical Identifiers
| CAS Number | 928-51-8 |
|---|---|
| SMILES | C(CCCl)CO |
| InChIKey | HXHGULXINZUGJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1-butanol (CAS 928-51-8), with molecular formula C4H9ClO and molecular weight 108.03 g/mol. IUPAC: 4-chlorobutan-1-ol.
Chemical Property Profile of 4-Chloro-1-butanol
Property Insights of 4-Chloro-1-butanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-butanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Chloro-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-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 4-Chloro-1-butanol?
The CAS number of 4-Chloro-1-butanol is 928-51-8.
What is the molecular formula of 4-Chloro-1-butanol?
The molecular formula of 4-Chloro-1-butanol is C4H9ClO.
What is the molecular weight of 4-Chloro-1-butanol?
The molecular weight of 4-Chloro-1-butanol is 108.03 g/mol.
Where can I buy 4-Chloro-1-butanol?
You can request a quote for 4-Chloro-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.