Ethyl 5-chloropentanoate
TL;DR: Ethyl 5-chloropentanoate (CAS 2323-81-1) 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.
ethyl 5-chloropentanoate
Also Known As: Ethyl 5-chloropentanoate, Pentanoic acid, 5-chloro-, ethyl ester, Apixaban Impurity 67, Apixaban Impurity 98, ethyl 5-chlorovalerate
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 2323-81-1 |
|---|---|
| SMILES | CCOC(=O)CCCCCl |
| InChIKey | JHPBGAORCOXWNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-chloropentanoate (CAS 2323-81-1), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: ethyl 5-chloropentanoate.
Chemical Property Profile of Ethyl 5-chloropentanoate
Property Insights of Ethyl 5-chloropentanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-chloropentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 5-chloropentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-chloropentanoate 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 Ethyl 5-chloropentanoate?
The CAS number of Ethyl 5-chloropentanoate is 2323-81-1.
What is the molecular formula of Ethyl 5-chloropentanoate?
The molecular formula of Ethyl 5-chloropentanoate is C7H13ClO2.
What is the molecular weight of Ethyl 5-chloropentanoate?
The molecular weight of Ethyl 5-chloropentanoate is 164.06 g/mol.
Where can I buy Ethyl 5-chloropentanoate?
You can request a quote for Ethyl 5-chloropentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chloropentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloropentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.