Propyl 3-chlorobutanoate
TL;DR: Propyl 3-chlorobutanoate (CAS 62108-72-9) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-chlorobutanoate
Also Known As: Propyl 3-chlorobutanoate, propyl3-chlorobutanoate, n-Propyl 3-chlorobutyrate, Butanoic acid, 3-chloro, propyl ester, Butanoic acid, 3-chloro-, propyl ester
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 62108-72-9 |
|---|---|
| SMILES | CCCOC(=O)CC(C)Cl |
| InChIKey | OPZLOOXQPPMSKG-UHFFFAOYSA-N |
Product Overview
Propyl 3-chlorobutanoate (CAS 62108-72-9), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: propyl 3-chlorobutanoate.
Chemical Property Profile of Propyl 3-chlorobutanoate
Property Insights of Propyl 3-chlorobutanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 3-chlorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 3-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl 3-chlorobutanoate?
The CAS number of Propyl 3-chlorobutanoate is 62108-72-9.
What is the molecular formula of Propyl 3-chlorobutanoate?
The molecular formula of Propyl 3-chlorobutanoate is C7H13ClO2.
What is the molecular weight of Propyl 3-chlorobutanoate?
The molecular weight of Propyl 3-chlorobutanoate is 164.06 g/mol.
Where can I buy Propyl 3-chlorobutanoate?
You can request a quote for Propyl 3-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 3-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 3-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.