3-Hydroxymethylphenytoin valproic acid ester
TL;DR: 3-Hydroxymethylphenytoin valproic acid ester (CAS 189210-81-9) is a chemical compound with molecular formula C24H28N2O4 and molecular weight 408.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2-propylpentanoate
Also Known As: VAL-PHT, 3-Hydroxymethylphenytoin valproic acid ester, (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2-propylpentanoate, Pentanoic acid, 2-propyl-, (2,5-dioxo-4,4-diphenyl-1-imidazolidinyl)methyl ester, 2-Propylpentanoic acid 2,5-dioxo-4,4-diphenylimidazolidin-1-ylmethyl ester
| Molecular Formula | C24H28N2O4 |
|---|---|
| Molecular Weight | 408.20 g/mol |
| LogP | 4.1991 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 408.2049 |
| Heavy Atoms | 30 |
| Complexity | 837.0936 |
Chemical Identifiers
| CAS Number | 189210-81-9 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OCN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
3-Hydroxymethylphenytoin valproic acid ester (CAS 189210-81-9), with molecular formula C24H28N2O4 and molecular weight 408.20 g/mol. IUPAC: (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2-propylpentanoate.
Chemical Property Profile of 3-Hydroxymethylphenytoin valproic acid ester
Property Insights of 3-Hydroxymethylphenytoin valproic acid ester
The XLogP value of 4.1991 indicates that 3-Hydroxymethylphenytoin valproic acid ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxymethylphenytoin valproic acid ester. Following Lipinski's Rule of Five, 3-Hydroxymethylphenytoin valproic acid ester has 1 hydrogen bond donor(s) and 4 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 3-Hydroxymethylphenytoin valproic acid ester?
The CAS number of 3-Hydroxymethylphenytoin valproic acid ester is 189210-81-9.
What is the molecular formula of 3-Hydroxymethylphenytoin valproic acid ester?
The molecular formula of 3-Hydroxymethylphenytoin valproic acid ester is C24H28N2O4.
What is the molecular weight of 3-Hydroxymethylphenytoin valproic acid ester?
The molecular weight of 3-Hydroxymethylphenytoin valproic acid ester is 408.20 g/mol.
Where can I buy 3-Hydroxymethylphenytoin valproic acid ester?
You can request a quote for 3-Hydroxymethylphenytoin valproic acid ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxymethylphenytoin valproic acid ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxymethylphenytoin valproic acid ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.