Propanoic acid, 2-chloro-, pentyl ester
TL;DR: Propanoic acid, 2-chloro-, pentyl ester (CAS 86711-71-9) 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.
pentyl 2-chloropropanoate
Also Known As: Pentyl 2-chloropropanoate, Propanoic acid, 2-chloro-, pentyl ester, Pentyl 2-chloropropanoate #, Propionic acid, 2-chloro-, pentyl ester, RefChem:374730
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.9 |
| 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 | 86711-71-9 |
|---|---|
| SMILES | CCCCCOC(=O)C(C)Cl |
| InChIKey | ASYLXRAVZWKEBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-chloro-, pentyl ester (CAS 86711-71-9), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: pentyl 2-chloropropanoate.
Chemical Property Profile of Propanoic acid, 2-chloro-, pentyl ester
Property Insights of Propanoic acid, 2-chloro-, pentyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-chloro-, pentyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2-chloro-, pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-chloro-, pentyl ester 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 Propanoic acid, 2-chloro-, pentyl ester?
The CAS number of Propanoic acid, 2-chloro-, pentyl ester is 86711-71-9.
What is the molecular formula of Propanoic acid, 2-chloro-, pentyl ester?
The molecular formula of Propanoic acid, 2-chloro-, pentyl ester is C8H15ClO2.
What is the molecular weight of Propanoic acid, 2-chloro-, pentyl ester?
The molecular weight of Propanoic acid, 2-chloro-, pentyl ester is 178.08 g/mol.
Where can I buy Propanoic acid, 2-chloro-, pentyl ester?
You can request a quote for Propanoic acid, 2-chloro-, pentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-chloro-, pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-chloro-, pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.