Valdice
TL;DR: Valdice (CAS 93181-78-3) is a chemical compound with molecular formula C13H24O5 and molecular weight 260.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxycarbonyloxyethyl 2-propylpentanoate
Also Known As: Valdice, starbld0001317, 1-ethoxycarbonyloxyethyl 2-propylpentanoate, 1-(Ethoxycarbonyloxy)ethyl valproate, 1-[(ethoxycarbonyl)oxy]ethyl 2-propylpentanoate
| Molecular Formula | C13H24O5 |
|---|---|
| Molecular Weight | 260.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 260.16238 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 93181-78-3 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OC(C)OC(=O)OCC |
| InChIKey | ZIJGGSZJPPURSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Valdice (CAS 93181-78-3), with molecular formula C13H24O5 and molecular weight 260.16 g/mol. IUPAC: 1-ethoxycarbonyloxyethyl 2-propylpentanoate.
Chemical Property Profile of Valdice
Property Insights of Valdice
The XLogP value of 4.1 indicates that Valdice is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Valdice. Following Lipinski's Rule of Five, Valdice has 0 hydrogen bond donor(s) and 5 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 Valdice?
The CAS number of Valdice is 93181-78-3.
What is the molecular formula of Valdice?
The molecular formula of Valdice is C13H24O5.
What is the molecular weight of Valdice?
The molecular weight of Valdice is 260.16 g/mol.
Where can I buy Valdice?
You can request a quote for Valdice directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valdice?
Yes, KEHONG BIO provides custom synthesis services for Valdice and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.