Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-
TL;DR: Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)- (CAS 78800-08-5) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethenyl-5-[(2R)-hex-3-yn-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: R(-)-Thiohexital, Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-, (R)-(-)-5-Allyl-5-(1-methyl-2-pentynyl)-2-thiobarbituric acid, 5-ethenyl-5-[(2R)-hex-3-yn-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione, RefChem:320747
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 0.7392 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 425.15732 |
Chemical Identifiers
| CAS Number | 78800-08-5 |
|---|---|
| SMILES | CCC#C[C@@H](C)C1(C(=O)NC(=S)NC1=O)C=C |
Product Overview
Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)- (CAS 78800-08-5), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 5-ethenyl-5-[(2R)-hex-3-yn-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-
Property Insights of Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-
The XLogP value of 0.7392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-. With a topological polar surface area (TPSA) of 58.2 Ų, Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)- 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-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-?
The CAS number of Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)- is 78800-08-5.
What is the molecular formula of Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-?
The molecular formula of Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)- is C12H14N2O2S.
What is the molecular weight of Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-?
The molecular weight of Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)- is 250.08 g/mol.
Where can I buy Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-?
You can request a quote for Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)- 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-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (R)-(-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.