Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-
TL;DR: Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- (CAS 726-79-4) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyclohexen-1-yl)-1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
Also Known As: Hexobarbital Me, 2,4,6 -Pyrimidinet, Hexobarbital permethylated, 3-Methyl derivative of Hexobarbital, Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 726-79-4 |
|---|---|
| SMILES | CC1(C(=O)N(C(=O)N(C1=O)C)C)C2=CCCCC2 |
| InChIKey | PCTJGZPAPPNSKM-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- (CAS 726-79-4), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 5-(cyclohexen-1-yl)-1,3,5-trimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-
Property Insights of Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-. With a topological polar surface area (TPSA) of 57.7 Ų, Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- 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 Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-?
The CAS number of Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- is 726-79-4.
What is the molecular formula of Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-?
The molecular formula of Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- is C13H18N2O3.
What is the molecular weight of Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-?
The molecular weight of Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- is 250.13 g/mol.
Where can I buy Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-?
You can request a quote for Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.