Butyl 3-chlorobutanoate
TL;DR: Butyl 3-chlorobutanoate (CAS 53815-59-1) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-chlorobutanoate
Also Known As: Butyl 3-chlorobutanoate, n-Butyl 3-chlorobutyrate, 3-Chlorobutanoic acid butyl ester, Butanoic acid, 3-chloro, butyl ester, Butanoic acid, 3-chloro-, butyl ester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 53815-59-1 |
|---|---|
| SMILES | CCCCOC(=O)CC(C)Cl |
| InChIKey | CPWVMAYZTIUFPZ-UHFFFAOYSA-N |
Product Overview
Butyl 3-chlorobutanoate (CAS 53815-59-1), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: butyl 3-chlorobutanoate.
Chemical Property Profile of Butyl 3-chlorobutanoate
Property Insights of Butyl 3-chlorobutanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3-chlorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 3-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-chlorobutanoate 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 Butyl 3-chlorobutanoate?
The CAS number of Butyl 3-chlorobutanoate is 53815-59-1.
What is the molecular formula of Butyl 3-chlorobutanoate?
The molecular formula of Butyl 3-chlorobutanoate is C8H15ClO2.
What is the molecular weight of Butyl 3-chlorobutanoate?
The molecular weight of Butyl 3-chlorobutanoate is 178.08 g/mol.
Where can I buy Butyl 3-chlorobutanoate?
You can request a quote for Butyl 3-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.