Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-
TL;DR: Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio- (CAS 53414-36-1) is a chemical compound with molecular formula C22H32N2O2S and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1,3-Dicyclohexyl-2-thio-5,5-diallylbarbituric acid, 5,5-Diallyl-1,3-dicyclohexyl-2-thiobarbituric acid, BARBITURIC ACID, 5,5-DIALLYL-1,3-DICYCLOHEXYL-2-THIO-, 4,6(1H,5H)-Pyrimidinedione, 1,3-dicyclohexyldihydro-5,5-di-2-propenyl-2-thioxo-, 1,3-Dicyclohexyl-5,5-di(prop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H32N2O2S |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.21844 |
| Heavy Atoms | 27 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 53414-36-1 |
|---|---|
| SMILES | C=CCC1(C(=O)N(C(=S)N(C1=O)C2CCCCC2)C3CCCCC3)CC=C |
| InChIKey | KWSMOHNJZDTXGU-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio- (CAS 53414-36-1), with molecular formula C22H32N2O2S and molecular weight 388.22 g/mol. IUPAC: 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-
Property Insights of Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-
The XLogP value of 5.5 indicates that Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-. Following Lipinski's Rule of Five, Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio- 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, 5,5-diallyl-1,3-dicyclohexyl-2-thio-?
The CAS number of Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio- is 53414-36-1.
What is the molecular formula of Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-?
The molecular formula of Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio- is C22H32N2O2S.
What is the molecular weight of Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-?
The molecular weight of Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio- is 388.22 g/mol.
Where can I buy Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-?
You can request a quote for Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.