Valproate phenacyl ester
TL;DR: Valproate phenacyl ester (CAS 71683-26-6) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-propylpentanoate
Also Known As: Phenacyl valproate, Valproate phenacyl ester, valproatephenacylester, phenacyl 2-propylpentanoate, 2-OXO-2-PHENYLETHYL 2-PROPYLPENTANOATE
| Molecular Formula | C16H22O3 |
|---|---|
| Molecular Weight | 262.16 g/mol |
| LogP | 3.6289 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 262.1569 |
| Heavy Atoms | 19 |
| Complexity | 391.7149 |
Chemical Identifiers
| CAS Number | 71683-26-6 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OCC(=O)C1=CC=CC=C1 |
Product Overview
Valproate phenacyl ester (CAS 71683-26-6), with molecular formula C16H22O3 and molecular weight 262.16 g/mol. IUPAC: phenacyl 2-propylpentanoate.
Chemical Property Profile of Valproate phenacyl ester
Property Insights of Valproate phenacyl ester
The XLogP value of 3.6289 indicates that Valproate phenacyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Valproate phenacyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valproate phenacyl ester has 0 hydrogen bond donor(s) and 3 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 Valproate phenacyl ester?
The CAS number of Valproate phenacyl ester is 71683-26-6.
What is the molecular formula of Valproate phenacyl ester?
The molecular formula of Valproate phenacyl ester is C16H22O3.
What is the molecular weight of Valproate phenacyl ester?
The molecular weight of Valproate phenacyl ester is 262.16 g/mol.
Where can I buy Valproate phenacyl ester?
You can request a quote for Valproate phenacyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valproate phenacyl ester?
Yes, KEHONG BIO provides custom synthesis services for Valproate phenacyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.