Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
TL;DR: Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester (CAS 88606-78-4) is a chemical compound with molecular formula C12H22Cl2O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl nonanoate
Also Known As: 1,3-dichloropropan-2-yl nonanoate, Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester, Nonanoic acid,2-chloro-1-(chloromethyl)ethyl ester
| Molecular Formula | C12H22Cl2O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 268.09967 |
| Heavy Atoms | 16 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 88606-78-4 |
|---|---|
| SMILES | CCCCCCCCC(=O)OC(CCl)CCl |
| InChIKey | MOZMFSMALLESRG-UHFFFAOYSA-N |
Product Overview
Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester (CAS 88606-78-4), with molecular formula C12H22Cl2O2 and molecular weight 268.10 g/mol. IUPAC: 1,3-dichloropropan-2-yl nonanoate.
Chemical Property Profile of Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
Property Insights of Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
The XLogP value of 4.9 indicates that Nonanoic acid, 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, Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonanoic acid, 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 Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
The CAS number of Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester is 88606-78-4.
What is the molecular formula of Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
The molecular formula of Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester is C12H22Cl2O2.
What is the molecular weight of Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
The molecular weight of Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester is 268.10 g/mol.
Where can I buy Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
You can request a quote for Nonanoic acid, 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 Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nonanoic acid, 2-chloro-1-(chloromethyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.