Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)
TL;DR: Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester) (CAS 4394-23-4) is a chemical compound with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] acetate
Also Known As: 1-5-methylbarbituricacid, 1- -5-methylbarbituricacid, 5-24-09-00118 (Beilstein Handbook Reference), 1-(4-Hydroxycyclohexyl)-5-methylbarbituric acid acetate (ester), Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)
| Molecular Formula | C13H18N2O5 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.12158 |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 4394-23-4 |
|---|---|
| SMILES | CC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C |
| InChIKey | KTWAKIZSPUJCDX-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester) (CAS 4394-23-4), with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol. IUPAC: [4-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] acetate.
Chemical Property Profile of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)
Property Insights of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester). The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester). Following Lipinski's Rule of Five, Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester) has 1 hydrogen bond donor(s) and 5 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, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)?
The CAS number of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester) is 4394-23-4.
What is the molecular formula of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)?
The molecular formula of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester) is C13H18N2O5.
What is the molecular weight of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)?
The molecular weight of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester) is 282.12 g/mol.
Where can I buy Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)?
You can request a quote for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-methyl-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.