5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid
TL;DR: 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid (CAS 737706-07-9) is a chemical compound with molecular formula C12H19N3OS and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: USAF EL-22, 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituricAcid, 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid, 5-Allyl-4-imino-5-(1-methylbutyl)-2-thioxohexahydropyrimidin-6-one, 6-amino-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C12H19N3OS |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 1.757 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.12488 |
| Heavy Atoms | 17 |
| Complexity | 377.94702 |
Chemical Identifiers
| CAS Number | 737706-07-9 |
|---|---|
| SMILES | CCCC(C)C1(C(=NC(=S)NC1=O)N)CC=C |
Product Overview
5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid (CAS 737706-07-9), with molecular formula C12H19N3OS and molecular weight 253.12 g/mol. IUPAC: 6-amino-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid
Property Insights of 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid
The XLogP value of 1.757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid. Following Lipinski's Rule of Five, 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid 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 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid?
The CAS number of 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid is 737706-07-9.
What is the molecular formula of 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid?
The molecular formula of 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid is C12H19N3OS.
What is the molecular weight of 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid?
The molecular weight of 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid is 253.12 g/mol.
Where can I buy 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid?
You can request a quote for 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Allyl-5-(pent-2-yl)-4-imino-2-thiobarbituric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.