Undecyl 4-chlorobutanoate
TL;DR: Undecyl 4-chlorobutanoate (CAS 88395-94-2) is a chemical compound with molecular formula C15H29ClO2 and molecular weight 276.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecyl 4-chlorobutanoate
Also Known As: Undecyl 4-chlorobutanoate, Butanoic acid, 4-chloro, undecyl ester, Butanoic acid, 4-chloro-, undecyl ester, RefChem:386912
| Molecular Formula | C15H29ClO2 |
|---|---|
| Molecular Weight | 276.19 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 276.1856 |
| Heavy Atoms | 18 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 88395-94-2 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)CCCCl |
| InChIKey | KZEWKNYKRXBAPR-UHFFFAOYSA-N |
Product Overview
Undecyl 4-chlorobutanoate (CAS 88395-94-2), with molecular formula C15H29ClO2 and molecular weight 276.19 g/mol. IUPAC: undecyl 4-chlorobutanoate.
Chemical Property Profile of Undecyl 4-chlorobutanoate
Property Insights of Undecyl 4-chlorobutanoate
The XLogP value of 5.9 indicates that Undecyl 4-chlorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Undecyl 4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl 4-chlorobutanoate 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 Undecyl 4-chlorobutanoate?
The CAS number of Undecyl 4-chlorobutanoate is 88395-94-2.
What is the molecular formula of Undecyl 4-chlorobutanoate?
The molecular formula of Undecyl 4-chlorobutanoate is C15H29ClO2.
What is the molecular weight of Undecyl 4-chlorobutanoate?
The molecular weight of Undecyl 4-chlorobutanoate is 276.19 g/mol.
Where can I buy Undecyl 4-chlorobutanoate?
You can request a quote for Undecyl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.