Methyl 10-(trichloromethyl)octadecanoate
TL;DR: Methyl 10-(trichloromethyl)octadecanoate (CAS 82040-45-7) is a chemical compound with molecular formula C20H37Cl3O2 and molecular weight 414.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10-(trichloromethyl)octadecanoate
Also Known As: Methyl 10-(trichloromethyl)octadecanoate, Octadecanoic acid, 10-(trichloromethyl)-, methyl ester
| Molecular Formula | C20H37Cl3O2 |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 414.1859 |
| Heavy Atoms | 25 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 82040-45-7 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCCCCC(=O)OC)C(Cl)(Cl)Cl |
| InChIKey | RJCQTVJOSDNCNJ-UHFFFAOYSA-N |
Product Overview
Methyl 10-(trichloromethyl)octadecanoate (CAS 82040-45-7), with molecular formula C20H37Cl3O2 and molecular weight 414.19 g/mol. IUPAC: methyl 10-(trichloromethyl)octadecanoate.
Chemical Property Profile of Methyl 10-(trichloromethyl)octadecanoate
Property Insights of Methyl 10-(trichloromethyl)octadecanoate
The XLogP value of 9.7 indicates that Methyl 10-(trichloromethyl)octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 10-(trichloromethyl)octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 10-(trichloromethyl)octadecanoate 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 Methyl 10-(trichloromethyl)octadecanoate?
The CAS number of Methyl 10-(trichloromethyl)octadecanoate is 82040-45-7.
What is the molecular formula of Methyl 10-(trichloromethyl)octadecanoate?
The molecular formula of Methyl 10-(trichloromethyl)octadecanoate is C20H37Cl3O2.
What is the molecular weight of Methyl 10-(trichloromethyl)octadecanoate?
The molecular weight of Methyl 10-(trichloromethyl)octadecanoate is 414.19 g/mol.
Where can I buy Methyl 10-(trichloromethyl)octadecanoate?
You can request a quote for Methyl 10-(trichloromethyl)octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 10-(trichloromethyl)octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 10-(trichloromethyl)octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.