Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio-
TL;DR: Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio- (CAS 66968-97-6) is a chemical compound with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-hexan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-Ethyl-5-(1-methylpentyl)-2-thiobarbituric acid, 4-24-00-01965 (Beilstein Handbook Reference), BARBITURIC ACID, 5-ETHYL-5-(1-METHYLPENTYL)-2-THIO-, 5-ethyl-5-hexan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-Ethyl-5-(hexan-2-yl)-4,6-dihydroxypyrimidine-2(5H)-thione
| Molecular Formula | C12H20N2O2S |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 1.74 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.12454 |
| Heavy Atoms | 17 |
| Complexity | 321.39734 |
Chemical Identifiers
| CAS Number | 66968-97-6 |
|---|---|
| SMILES | CCCCC(C)C1(C(=O)NC(=S)NC1=O)CC |
Product Overview
Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio- (CAS 66968-97-6), with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol. IUPAC: 5-ethyl-5-hexan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio-
Property Insights of Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio-
The XLogP value of 1.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio-. With a topological polar surface area (TPSA) of 58.2 Ų, Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio- has 2 hydrogen bond donor(s) and 3 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, 5-ethyl-5-(1-methylpentyl)-2-thio-?
The CAS number of Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio- is 66968-97-6.
What is the molecular formula of Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio-?
The molecular formula of Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio- is C12H20N2O2S.
What is the molecular weight of Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio-?
The molecular weight of Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio- is 256.12 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio-?
You can request a quote for Barbituric acid, 5-ethyl-5-(1-methylpentyl)-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-ethyl-5-(1-methylpentyl)-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-(1-methylpentyl)-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.