Dodecyl 3-chlorobutanoate
TL;DR: Dodecyl 3-chlorobutanoate (CAS 88395-89-5) is a chemical compound with molecular formula C16H31ClO2 and molecular weight 290.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 3-chlorobutanoate
Also Known As: Dodecyl 3-chlorobutanoate, Butanoic acid, 3-chloro, dodecyl ester, Butanoic acid, 3-chloro-, dodecyl ester, RefChem:339497
| Molecular Formula | C16H31ClO2 |
|---|---|
| Molecular Weight | 290.20 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 290.20126 |
| Heavy Atoms | 19 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 88395-89-5 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CC(C)Cl |
| InChIKey | AUFXSBSHIKABLE-UHFFFAOYSA-N |
Product Overview
Dodecyl 3-chlorobutanoate (CAS 88395-89-5), with molecular formula C16H31ClO2 and molecular weight 290.20 g/mol. IUPAC: dodecyl 3-chlorobutanoate.
Chemical Property Profile of Dodecyl 3-chlorobutanoate
Property Insights of Dodecyl 3-chlorobutanoate
The XLogP value of 6.5 indicates that Dodecyl 3-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, Dodecyl 3-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl 3-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 Dodecyl 3-chlorobutanoate?
The CAS number of Dodecyl 3-chlorobutanoate is 88395-89-5.
What is the molecular formula of Dodecyl 3-chlorobutanoate?
The molecular formula of Dodecyl 3-chlorobutanoate is C16H31ClO2.
What is the molecular weight of Dodecyl 3-chlorobutanoate?
The molecular weight of Dodecyl 3-chlorobutanoate is 290.20 g/mol.
Where can I buy Dodecyl 3-chlorobutanoate?
You can request a quote for Dodecyl 3-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl 3-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl 3-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.