Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl-
TL;DR: Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl- (CAS 4101-98-8) is a chemical compound with molecular formula C18H30N2O4 and molecular weight 338.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxycyclohexyl)-5-octyl-1,3-diazinane-2,4,6-trione
Also Known As: 1- -5-octylbarbituricacid, 1-(4-Hydroxycyclohexyl)-5-octylbarbituric acid, methyl 5-ethanoylthiophene-2-carboxylate, BARBITURIC ACID, 1-(4-HYDROXYCYCLOHEXYL)-5-OCTYL-, 1-(4-hydroxycyclohexyl)-5-octyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H30N2O4 |
|---|---|
| Molecular Weight | 338.22 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.22055 |
| Heavy Atoms | 24 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 4101-98-8 |
|---|---|
| SMILES | CCCCCCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O |
| InChIKey | VJWDELPKRRZFTM-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl- (CAS 4101-98-8), with molecular formula C18H30N2O4 and molecular weight 338.22 g/mol. IUPAC: 1-(4-hydroxycyclohexyl)-5-octyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl-
Property Insights of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl-
The XLogP value of 3.8 indicates that Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl-. Following Lipinski's Rule of Five, Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl- 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-octyl-?
The CAS number of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl- is 4101-98-8.
What is the molecular formula of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl-?
The molecular formula of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl- is C18H30N2O4.
What is the molecular weight of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl-?
The molecular weight of Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl- is 338.22 g/mol.
Where can I buy Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl-?
You can request a quote for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl- 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-octyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.