Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester
TL;DR: Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester (CAS 56208-06-1) is a chemical compound with molecular formula C15H26ClNO2 and molecular weight 287.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloro-3-cyanopropan-2-yl) undecanoate
Also Known As: 4-Chloro-3-undecanoyl-butyronitrile, Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester, (1-chloro-3-cyanopropan-2-yl) undecanoate, 1-Chloro-3-cyanopropan-2-yl undecanoate, Undecanoic acid,2-chloro-1-(cyanomethyl)ethyl ester
| Molecular Formula | C15H26ClNO2 |
|---|---|
| Molecular Weight | 287.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 287.1652 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 56208-06-1 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OC(CC#N)CCl |
| InChIKey | PPDBEBYYDNLWKK-UHFFFAOYSA-N |
Product Overview
Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester (CAS 56208-06-1), with molecular formula C15H26ClNO2 and molecular weight 287.17 g/mol. IUPAC: (1-chloro-3-cyanopropan-2-yl) undecanoate.
Chemical Property Profile of Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester
Property Insights of Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester
The XLogP value of 5.1 indicates that Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester?
The CAS number of Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester is 56208-06-1.
What is the molecular formula of Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester?
The molecular formula of Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester is C15H26ClNO2.
What is the molecular weight of Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester?
The molecular weight of Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester is 287.17 g/mol.
Where can I buy Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester?
You can request a quote for Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.