(4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid
TL;DR: (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid (CAS 24900-00-3) is a chemical compound with molecular formula C9H16N2O2S and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetic acid
Also Known As: (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid, 2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetic Acid, (4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetic acid
| Molecular Formula | C9H16N2O2S |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 0.8183 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.09325 |
| Heavy Atoms | 14 |
| Complexity | 265.53757 |
Chemical Identifiers
| CAS Number | 24900-00-3 |
|---|---|
| SMILES | CC1CC(NC(=S)N1CC(=O)O)(C)C |
Product Overview
(4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid (CAS 24900-00-3), with molecular formula C9H16N2O2S and molecular weight 216.09 g/mol. IUPAC: 2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetic acid.
Chemical Property Profile of (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid
Property Insights of (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid
The XLogP value of 0.8183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid. With a topological polar surface area (TPSA) of 52.57 Ų, (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid has 2 hydrogen bond donor(s) and 2 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 (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid?
The CAS number of (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid is 24900-00-3.
What is the molecular formula of (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid?
The molecular formula of (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid is C9H16N2O2S.
What is the molecular weight of (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid?
The molecular weight of (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid is 216.09 g/mol.
Where can I buy (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid?
You can request a quote for (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4,4,6-Trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.