Barbituric acid, 5-(cycloocten-1-yl)-5-methyl-
TL;DR: Barbituric acid, 5-(cycloocten-1-yl)-5-methyl- (CAS 102585-89-7) 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-[(1E)-cycloocten-1-yl]-5-methyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Methyl-5-cycloheptenylbarbituric acid, 5-Methyl-5-cyclooctenylbarbitursaeure, 5-Methyl-5-cyclooctenylbarbitursaeure [German], 5-(Cycloocten-1-yl)-5-methylbarbituric acid, BARBITURIC ACID, 5-(CYCLOOCTEN-1-YL)-5-METHYL-
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 1.6393 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 405.9523 |
Chemical Identifiers
| CAS Number | 102585-89-7 |
|---|---|
| SMILES | CC1(C(=O)NC(=O)NC1=O)/C/2=C/CCCCCC2 |
Product Overview
Barbituric acid, 5-(cycloocten-1-yl)-5-methyl- (CAS 102585-89-7), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 5-[(1E)-cycloocten-1-yl]-5-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-(cycloocten-1-yl)-5-methyl-
Property Insights of Barbituric acid, 5-(cycloocten-1-yl)-5-methyl-
The XLogP value of 1.6393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(cycloocten-1-yl)-5-methyl-. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(cycloocten-1-yl)-5-methyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(cycloocten-1-yl)-5-methyl- has 2 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-(cycloocten-1-yl)-5-methyl-?
The CAS number of Barbituric acid, 5-(cycloocten-1-yl)-5-methyl- is 102585-89-7.
What is the molecular formula of Barbituric acid, 5-(cycloocten-1-yl)-5-methyl-?
The molecular formula of Barbituric acid, 5-(cycloocten-1-yl)-5-methyl- is C13H18N2O3.
What is the molecular weight of Barbituric acid, 5-(cycloocten-1-yl)-5-methyl-?
The molecular weight of Barbituric acid, 5-(cycloocten-1-yl)-5-methyl- is 250.13 g/mol.
Where can I buy Barbituric acid, 5-(cycloocten-1-yl)-5-methyl-?
You can request a quote for Barbituric acid, 5-(cycloocten-1-yl)-5-methyl- 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-(cycloocten-1-yl)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(cycloocten-1-yl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.