Barbituric acid, 1,3,5-tricyclohexyl-
TL;DR: Barbituric acid, 1,3,5-tricyclohexyl- (CAS 747-78-4) is a chemical compound with molecular formula C22H34N2O3 and molecular weight 374.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tricyclohexyl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3,5-Tricyclohexylbarbituric acid, Barbituric acid, 1,3,5-tricyclohexyl-, 1,3,5-Tricyclohexylbarbituricacid, 1,3,5-tricyclohexyl-1,3-diazinane-2,4,6-trione, 5-24-09-00227 (Beilstein Handbook Reference)
| Molecular Formula | C22H34N2O3 |
|---|---|
| Molecular Weight | 374.26 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.25696 |
| Heavy Atoms | 27 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 747-78-4 |
|---|---|
| SMILES | C1CCC(CC1)C2C(=O)N(C(=O)N(C2=O)C3CCCCC3)C4CCCCC4 |
| InChIKey | QTTNFALEHFHMAW-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1,3,5-tricyclohexyl- (CAS 747-78-4), with molecular formula C22H34N2O3 and molecular weight 374.26 g/mol. IUPAC: 1,3,5-tricyclohexyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1,3,5-tricyclohexyl-
Property Insights of Barbituric acid, 1,3,5-tricyclohexyl-
The XLogP value of 5.6 indicates that Barbituric acid, 1,3,5-tricyclohexyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Barbituric acid, 1,3,5-tricyclohexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 1,3,5-tricyclohexyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Barbituric acid, 1,3,5-tricyclohexyl-?
The CAS number of Barbituric acid, 1,3,5-tricyclohexyl- is 747-78-4.
What is the molecular formula of Barbituric acid, 1,3,5-tricyclohexyl-?
The molecular formula of Barbituric acid, 1,3,5-tricyclohexyl- is C22H34N2O3.
What is the molecular weight of Barbituric acid, 1,3,5-tricyclohexyl-?
The molecular weight of Barbituric acid, 1,3,5-tricyclohexyl- is 374.26 g/mol.
Where can I buy Barbituric acid, 1,3,5-tricyclohexyl-?
You can request a quote for Barbituric acid, 1,3,5-tricyclohexyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1,3,5-tricyclohexyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1,3,5-tricyclohexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.