Pentadecyl trichloroacetate
TL;DR: Pentadecyl trichloroacetate (CAS 74339-53-0) is a chemical compound with molecular formula C17H31Cl3O2 and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentadecyl 2,2,2-trichloroacetate
Also Known As: Pentadecyl trichloroacetate, Pentadecyl trichloroacetate #, pentadecyl 2,2,2-trichloroacetate, Trichloroacetic acid, pentadecyl ester, RefChem:367980
| Molecular Formula | C17H31Cl3O2 |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 372.13898 |
| Heavy Atoms | 22 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 74339-53-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | NKIOTTYRINVYJZ-UHFFFAOYSA-N |
Product Overview
Pentadecyl trichloroacetate (CAS 74339-53-0), with molecular formula C17H31Cl3O2 and molecular weight 372.14 g/mol. IUPAC: pentadecyl 2,2,2-trichloroacetate.
Chemical Property Profile of Pentadecyl trichloroacetate
Property Insights of Pentadecyl trichloroacetate
The XLogP value of 9.1 indicates that Pentadecyl trichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentadecyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentadecyl trichloroacetate 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 Pentadecyl trichloroacetate?
The CAS number of Pentadecyl trichloroacetate is 74339-53-0.
What is the molecular formula of Pentadecyl trichloroacetate?
The molecular formula of Pentadecyl trichloroacetate is C17H31Cl3O2.
What is the molecular weight of Pentadecyl trichloroacetate?
The molecular weight of Pentadecyl trichloroacetate is 372.14 g/mol.
Where can I buy Pentadecyl trichloroacetate?
You can request a quote for Pentadecyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentadecyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentadecyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.