3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide
TL;DR: 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide (CAS 175203-49-3) is a chemical compound with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbothioamide
Also Known As: 3-benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbothioamide, Maybridge1_004781, 3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbothioamide, BRD-K19653562-001-07-5, 3-benzyl-1-isopropyl-2,4-dioxo-pyrimidine-5-carbothioamide
| Molecular Formula | C15H17N3O2S |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 1.2734 |
| Topological Polar Surface Area | 70.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.10416 |
| Heavy Atoms | 21 |
| Complexity | 775.7411 |
Chemical Identifiers
| CAS Number | 175203-49-3 |
|---|---|
| SMILES | CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C(=S)N |
Product Overview
3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide (CAS 175203-49-3), with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol. IUPAC: 3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbothioamide.
Chemical Property Profile of 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide
Property Insights of 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide
The XLogP value of 1.2734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide. The TPSA of 70.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide. Following Lipinski's Rule of Five, 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide has 1 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 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
The CAS number of 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide is 175203-49-3.
What is the molecular formula of 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
The molecular formula of 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide is C15H17N3O2S.
What is the molecular weight of 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
The molecular weight of 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide is 303.10 g/mol.
Where can I buy 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
You can request a quote for 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.