4-Hydroxymephobarbital
TL;DR: 4-Hydroxymephobarbital (CAS 834-85-5) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(4-hydroxyphenyl)-1-methyl-1,3-diazinane-2,4,6-trione
Also Known As: 4-Hydroxymephobarbital, 4-OH-Mephobarbital, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-hydroxyphenyl)-1-methyl-, 5-ethyl-5-(4-hydroxyphenyl)-1-methyl-1,3-diazinane-2,4,6-trione, 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminiumacetat
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 834-85-5 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=C(C=C2)O |
| InChIKey | ARGUVULFWSAUDV-UHFFFAOYSA-N |
Product Overview
4-Hydroxymephobarbital (CAS 834-85-5), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 5-ethyl-5-(4-hydroxyphenyl)-1-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 4-Hydroxymephobarbital
Property Insights of 4-Hydroxymephobarbital
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymephobarbital. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxymephobarbital. Following Lipinski's Rule of Five, 4-Hydroxymephobarbital has 2 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 4-Hydroxymephobarbital?
The CAS number of 4-Hydroxymephobarbital is 834-85-5.
What is the molecular formula of 4-Hydroxymephobarbital?
The molecular formula of 4-Hydroxymephobarbital is C13H14N2O4.
What is the molecular weight of 4-Hydroxymephobarbital?
The molecular weight of 4-Hydroxymephobarbital is 262.10 g/mol.
Where can I buy 4-Hydroxymephobarbital?
You can request a quote for 4-Hydroxymephobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymephobarbital?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymephobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.