1-Butanol, 2-chloro, acetate
TL;DR: 1-Butanol, 2-chloro, acetate (CAS 76475-07-5) is a chemical compound with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorobutyl acetate
Also Known As: 2-chlorobutyl acetate, 1-Butanol, 2-chloro, acetate, chloro-2 acetoxy-1 butane
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 76475-07-5 |
|---|---|
| SMILES | CCC(COC(=O)C)Cl |
| InChIKey | BMVQKHFYSHXSBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanol, 2-chloro, acetate (CAS 76475-07-5), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: 2-chlorobutyl acetate.
Chemical Property Profile of 1-Butanol, 2-chloro, acetate
Property Insights of 1-Butanol, 2-chloro, acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanol, 2-chloro, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Butanol, 2-chloro, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 2-chloro, acetate has 0 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 1-Butanol, 2-chloro, acetate?
The CAS number of 1-Butanol, 2-chloro, acetate is 76475-07-5.
What is the molecular formula of 1-Butanol, 2-chloro, acetate?
The molecular formula of 1-Butanol, 2-chloro, acetate is C6H11ClO2.
What is the molecular weight of 1-Butanol, 2-chloro, acetate?
The molecular weight of 1-Butanol, 2-chloro, acetate is 150.04 g/mol.
Where can I buy 1-Butanol, 2-chloro, acetate?
You can request a quote for 1-Butanol, 2-chloro, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 2-chloro, acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 2-chloro, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.