5-Allyl-5-myristylthiobarbituric acid
TL;DR: 5-Allyl-5-myristylthiobarbituric acid (CAS 22196-69-6) is a chemical compound with molecular formula C21H36N2O2S and molecular weight 380.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-prop-2-enyl-2-sulfanylidene-5-tetradecyl-1,3-diazinane-4,6-dione
Also Known As: 5-Allyl-5-myristylthiobarbituric acid, 5-ALLYL-5-MYRISTYL-THIOBARBITURIC ACID, 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(2-propen-1-yl)-5-tetradecyl-2-thioxo-, 5-prop-2-enyl-2-sulfanylidene-5-tetradecyl-1,3-diazinane-4,6-dione
| Molecular Formula | C21H36N2O2S |
|---|---|
| Molecular Weight | 380.25 g/mol |
| LogP | 5.171 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 380.24976 |
| Heavy Atoms | 26 |
| Complexity | 456.63153 |
Chemical Identifiers
| CAS Number | 22196-69-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC1(C(=O)NC(=S)NC1=O)CC=C |
Product Overview
5-Allyl-5-myristylthiobarbituric acid (CAS 22196-69-6), with molecular formula C21H36N2O2S and molecular weight 380.25 g/mol. IUPAC: 5-prop-2-enyl-2-sulfanylidene-5-tetradecyl-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Allyl-5-myristylthiobarbituric acid
Property Insights of 5-Allyl-5-myristylthiobarbituric acid
The XLogP value of 5.171 indicates that 5-Allyl-5-myristylthiobarbituric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Allyl-5-myristylthiobarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Allyl-5-myristylthiobarbituric acid has 2 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 5-Allyl-5-myristylthiobarbituric acid?
The CAS number of 5-Allyl-5-myristylthiobarbituric acid is 22196-69-6.
What is the molecular formula of 5-Allyl-5-myristylthiobarbituric acid?
The molecular formula of 5-Allyl-5-myristylthiobarbituric acid is C21H36N2O2S.
What is the molecular weight of 5-Allyl-5-myristylthiobarbituric acid?
The molecular weight of 5-Allyl-5-myristylthiobarbituric acid is 380.25 g/mol.
Where can I buy 5-Allyl-5-myristylthiobarbituric acid?
You can request a quote for 5-Allyl-5-myristylthiobarbituric 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-myristylthiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Allyl-5-myristylthiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.