Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio-
TL;DR: Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio- (CAS 73681-01-3) is a chemical compound with molecular formula C28H36N2O2S and molecular weight 464.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-dodecyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1,3-Diphenyl-5-dodecyl-2-thiobarbituric acid, BARBITURIC ACID, 1,3-DIPHENYL-5-DODECYL-2-THIO-, 5-24-09-00181 (Beilstein Handbook Reference), 5-dodecyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1,3-Diphenyl-5-dodecyl-2,3-dihydro-2-thioxo-4,6 -pyrimidinedione
| Molecular Formula | C28H36N2O2S |
|---|---|
| Molecular Weight | 464.25 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 464.24976 |
| Heavy Atoms | 33 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 73681-01-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1C(=O)N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | QTJHXTFHQHAQKQ-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio- (CAS 73681-01-3), with molecular formula C28H36N2O2S and molecular weight 464.25 g/mol. IUPAC: 5-dodecyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio-
Property Insights of Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio-
The XLogP value of 9.3 indicates that Barbituric acid, 1,3-diphenyl-5-dodecyl-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, 1,3-diphenyl-5-dodecyl-2-thio-. Following Lipinski's Rule of Five, Barbituric acid, 1,3-diphenyl-5-dodecyl-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, 1,3-diphenyl-5-dodecyl-2-thio-?
The CAS number of Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio- is 73681-01-3.
What is the molecular formula of Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio-?
The molecular formula of Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio- is C28H36N2O2S.
What is the molecular weight of Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio-?
The molecular weight of Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio- is 464.25 g/mol.
Where can I buy Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio-?
You can request a quote for Barbituric acid, 1,3-diphenyl-5-dodecyl-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, 1,3-diphenyl-5-dodecyl-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.