Propanoic acid, 3-chloro-, propyl ester
TL;DR: Propanoic acid, 3-chloro-, propyl ester (CAS 6322-37-8) is a chemical compound with molecular formula CCCOC(=O)CCCl and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-chloropropanoate
Also Known As: Propyl 3-chloropropionate, propyl 3-chloropropanoate, n-Propyl-3-chloropropionate, Propanoic acid, 3-chloro-, propyl ester, N-PROPYLB-CHLOROPROPIONATE
| Molecular Formula | CCCOC(=O)CCCl |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 6322-37-8 |
|---|---|
| SMILES | CCCOC(=O)CCCl |
| InChIKey | WIOAODPBBXZVNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-chloro-, propyl ester (CAS 6322-37-8), with molecular formula CCCOC(=O)CCCl and molecular weight 150.04 g/mol. IUPAC: propyl 3-chloropropanoate.
Chemical Property Profile of Propanoic acid, 3-chloro-, propyl ester
Property Insights of Propanoic acid, 3-chloro-, propyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-chloro-, propyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 3-chloro-, propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-chloro-, propyl 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, 3-chloro-, propyl ester?
The CAS number of Propanoic acid, 3-chloro-, propyl ester is 6322-37-8.
What is the molecular formula of Propanoic acid, 3-chloro-, propyl ester?
The molecular formula of Propanoic acid, 3-chloro-, propyl ester is CCCOC(=O)CCCl.
What is the molecular weight of Propanoic acid, 3-chloro-, propyl ester?
The molecular weight of Propanoic acid, 3-chloro-, propyl ester is 150.04 g/mol.
Where can I buy Propanoic acid, 3-chloro-, propyl ester?
You can request a quote for Propanoic acid, 3-chloro-, propyl 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, 3-chloro-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-chloro-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.