Anti-inflammatory agent 49
TL;DR: Anti-inflammatory agent 49 (CAS 851471-44-8) is a chemical compound with molecular formula C21H22N8O3S and molecular weight 466.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide
Also Known As: Anti-inflammatory agent 49, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methylacetamide, 958-237-9, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-((5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)sulfanyl)-N-methylacetamide, N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide
| Molecular Formula | C21H22N8O3S |
|---|---|
| Molecular Weight | 466.15 g/mol |
| LogP | 0.97674 |
| Topological Polar Surface Area | 144.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.15356 |
| Heavy Atoms | 33 |
| Complexity | 1458.3842 |
Chemical Identifiers
| CAS Number | 851471-44-8 |
|---|---|
| SMILES | CC1=CC(=NC2=NC(=NN12)SCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)C |
Product Overview
Anti-inflammatory agent 49 (CAS 851471-44-8), with molecular formula C21H22N8O3S and molecular weight 466.15 g/mol. IUPAC: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide.
Chemical Property Profile of Anti-inflammatory agent 49
Property Insights of Anti-inflammatory agent 49
The XLogP value of 0.97674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anti-inflammatory agent 49. The TPSA of 144.27 Ų indicates high polarity, suggesting Anti-inflammatory agent 49 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anti-inflammatory agent 49 has 2 hydrogen bond donor(s) and 8 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 Anti-inflammatory agent 49?
The CAS number of Anti-inflammatory agent 49 is 851471-44-8.
What is the molecular formula of Anti-inflammatory agent 49?
The molecular formula of Anti-inflammatory agent 49 is C21H22N8O3S.
What is the molecular weight of Anti-inflammatory agent 49?
The molecular weight of Anti-inflammatory agent 49 is 466.15 g/mol.
Where can I buy Anti-inflammatory agent 49?
You can request a quote for Anti-inflammatory agent 49 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anti-inflammatory agent 49?
Yes, KEHONG BIO provides custom synthesis services for Anti-inflammatory agent 49 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.