Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
TL;DR: Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester (CAS 88606-79-5) is a chemical compound with molecular formula C13H24Cl2O2 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl decanoate
Also Known As: Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester, 1,3-DICHLOROPROPAN-2-YL DECANOATE, Decanoic acid,2-chloro-1-(chloromethyl)ethyl ester
| Molecular Formula | C13H24Cl2O2 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 282.11533 |
| Heavy Atoms | 17 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 88606-79-5 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC(CCl)CCl |
| InChIKey | DCZQDOIFEIVJTB-UHFFFAOYSA-N |
Product Overview
Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester (CAS 88606-79-5), with molecular formula C13H24Cl2O2 and molecular weight 282.12 g/mol. IUPAC: 1,3-dichloropropan-2-yl decanoate.
Chemical Property Profile of Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
Property Insights of Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
The XLogP value of 5.4 indicates that Decanoic 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, Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
The CAS number of Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester is 88606-79-5.
What is the molecular formula of Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
The molecular formula of Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester is C13H24Cl2O2.
What is the molecular weight of Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
The molecular weight of Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester is 282.12 g/mol.
Where can I buy Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
You can request a quote for Decanoic 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 Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid, 2-chloro-1-(chloromethyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.