(+)-Mephobarbitol
TL;DR: (+)-Mephobarbitol (CAS 2671-99-0) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: (+)-Mephobarbitol, Mephobarbital, (S)-Mephobarbital, ( )-Mephobarbitol, N-Methylphenobarbital
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.0426 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 512.2275 |
Chemical Identifiers
| CAS Number | 2671-99-0 |
|---|---|
| SMILES | CC[C@@]1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2 |
Product Overview
(+)-Mephobarbitol (CAS 2671-99-0), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (+)-Mephobarbitol
Property Insights of (+)-Mephobarbitol
The XLogP value of 1.0426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Mephobarbitol. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Mephobarbitol. Following Lipinski's Rule of Five, (+)-Mephobarbitol has 1 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 (+)-Mephobarbitol?
The CAS number of (+)-Mephobarbitol is 2671-99-0.
What is the molecular formula of (+)-Mephobarbitol?
The molecular formula of (+)-Mephobarbitol is C13H14N2O3.
What is the molecular weight of (+)-Mephobarbitol?
The molecular weight of (+)-Mephobarbitol is 246.10 g/mol.
Where can I buy (+)-Mephobarbitol?
You can request a quote for (+)-Mephobarbitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Mephobarbitol?
Yes, KEHONG BIO provides custom synthesis services for (+)-Mephobarbitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.