Pentanoic acid, 4-methyl, 2-chloroethyl ester
TL;DR: Pentanoic acid, 4-methyl, 2-chloroethyl ester (CAS 51479-38-0) 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.
2-chloroethyl 4-methylpentanoate
Also Known As: 2-chloroethyl 4-methylpentanoate, Pentanoic acid, 4-methyl, 2-chloroethyl ester, Pentanoic acid,4-methyl,2-chloroethyl ester, Pentanoic acid, 4-methyl-, 2-chloroethyl ester, RefChem:368212
| 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 | 113.0 |
Chemical Identifiers
| CAS Number | 51479-38-0 |
|---|---|
| SMILES | CC(C)CCC(=O)OCCCl |
| InChIKey | DOFWASNFKQXPPK-UHFFFAOYSA-N |
Product Overview
Pentanoic acid, 4-methyl, 2-chloroethyl ester (CAS 51479-38-0), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: 2-chloroethyl 4-methylpentanoate.
Chemical Property Profile of Pentanoic acid, 4-methyl, 2-chloroethyl ester
Property Insights of Pentanoic acid, 4-methyl, 2-chloroethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 4-methyl, 2-chloroethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Pentanoic acid, 4-methyl, 2-chloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 4-methyl, 2-chloroethyl 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 Pentanoic acid, 4-methyl, 2-chloroethyl ester?
The CAS number of Pentanoic acid, 4-methyl, 2-chloroethyl ester is 51479-38-0.
What is the molecular formula of Pentanoic acid, 4-methyl, 2-chloroethyl ester?
The molecular formula of Pentanoic acid, 4-methyl, 2-chloroethyl ester is C8H15ClO2.
What is the molecular weight of Pentanoic acid, 4-methyl, 2-chloroethyl ester?
The molecular weight of Pentanoic acid, 4-methyl, 2-chloroethyl ester is 178.08 g/mol.
Where can I buy Pentanoic acid, 4-methyl, 2-chloroethyl ester?
You can request a quote for Pentanoic acid, 4-methyl, 2-chloroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 4-methyl, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4-methyl, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.