Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester
TL;DR: Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester (CAS 25642-69-7) is a chemical compound with molecular formula C10H17Cl3O2 and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl 2-propylpentanoate
Also Known As: trichloroethylvalproate, 2,2,2-trichloroethyl 2-propylpentanoate, 2,2,2-Trichloroethyl 2-propylvalerate, Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester, 2-Propylvaleric acid 2,2,2-trichloroethyl ester
| Molecular Formula | C10H17Cl3O2 |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.02942 |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 25642-69-7 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OCC(Cl)(Cl)Cl |
| InChIKey | GYNPFWLPLYKDGO-UHFFFAOYSA-N |
Product Overview
Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester (CAS 25642-69-7), with molecular formula C10H17Cl3O2 and molecular weight 274.03 g/mol. IUPAC: 2,2,2-trichloroethyl 2-propylpentanoate.
Chemical Property Profile of Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester
Property Insights of Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester
The XLogP value of 4.8 indicates that Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester?
The CAS number of Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester is 25642-69-7.
What is the molecular formula of Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester?
The molecular formula of Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester is C10H17Cl3O2.
What is the molecular weight of Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester?
The molecular weight of Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester is 274.03 g/mol.
Where can I buy Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester?
You can request a quote for Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 2-propyl-, 2,2,2-trichloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.