Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid
TL;DR: Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid (CAS 21330-96-1) is a chemical compound with molecular formula C18H28N2O5 and molecular weight 352.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] butanoate
Also Known As: 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid butyrate, 5-24-09-00133 (Beilstein Handbook Reference), BUTYRIC ACID, ESTER with 5-BUTYL-1-(4-HYDROXYCYCLOHEXYL)BARBITURIC ACID, [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] butanoate, 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid propionate (ester)
| Molecular Formula | C18H28N2O5 |
|---|---|
| Molecular Weight | 352.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.19983 |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 21330-96-1 |
|---|---|
| SMILES | CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)CCC |
| InChIKey | XEMOGWRUSUEBDA-UHFFFAOYSA-N |
Product Overview
Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid (CAS 21330-96-1), with molecular formula C18H28N2O5 and molecular weight 352.20 g/mol. IUPAC: [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] butanoate.
Chemical Property Profile of Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid
Property Insights of Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid
The XLogP value of 3.1 indicates that Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid. Following Lipinski's Rule of Five, Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid 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 Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid?
The CAS number of Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid is 21330-96-1.
What is the molecular formula of Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid?
The molecular formula of Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid is C18H28N2O5.
What is the molecular weight of Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid?
The molecular weight of Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid is 352.20 g/mol.
Where can I buy Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid?
You can request a quote for Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, ester with 5-butyl-1-(4-hydroxycyclohexyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.