Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
TL;DR: Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester (CAS 88606-68-2) is a chemical compound with molecular formula C9H16Cl2O2 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl 4-methylpentanoate
Also Known As: 1,3-dichloropropan-2-yl 4-methylpentanoate, Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester, Pentanoic acid,4-methyl-,2-chloro-1-(chloromethyl)ethyl ester
| Molecular Formula | C9H16Cl2O2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.05273 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 88606-68-2 |
|---|---|
| SMILES | CC(C)CCC(=O)OC(CCl)CCl |
| InChIKey | DIZGTDWHMOUSNQ-UHFFFAOYSA-N |
Product Overview
Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester (CAS 88606-68-2), with molecular formula C9H16Cl2O2 and molecular weight 226.05 g/mol. IUPAC: 1,3-dichloropropan-2-yl 4-methylpentanoate.
Chemical Property Profile of Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
Property Insights of Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
The XLogP value of 3.0 indicates that Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl 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-chloro-1-(chloromethyl)ethyl ester?
The CAS number of Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester is 88606-68-2.
What is the molecular formula of Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester?
The molecular formula of Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester is C9H16Cl2O2.
What is the molecular weight of Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester?
The molecular weight of Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester is 226.05 g/mol.
Where can I buy Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester?
You can request a quote for Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl 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-chloro-1-(chloromethyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4-methyl-, 2-chloro-1-(chloromethyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.