Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-
TL;DR: Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl- (CAS 4101-97-7) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxycyclohexyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 1-(4-Hydroxycyclohexyl)-5-isopropylbarbituric acid, methyl 5-ethanoylthiophene-2-carboxylate, Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-, 5-24-09-00130 (Beilstein Handbook Reference), 1-(4-hydroxycyclohexyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 4101-97-7 |
|---|---|
| SMILES | CC(C)C1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O |
| InChIKey | CEWVGPYSEYTYEC-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl- (CAS 4101-97-7), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: 1-(4-hydroxycyclohexyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-
Property Insights of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-. Following Lipinski's Rule of Five, Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl- 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 Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-?
The CAS number of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl- is 4101-97-7.
What is the molecular formula of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-?
The molecular formula of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl- is C13H20N2O4.
What is the molecular weight of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-?
The molecular weight of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl- is 268.14 g/mol.
Where can I buy Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-?
You can request a quote for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl- 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-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.