ChemDiv1_010949
TL;DR: ChemDiv1_010949 (CAS 296772-50-4) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
Also Known As: ChemDiv1_010949, BAS 01521760, BIM-0001203.P001, 2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(pyridin-2-yl)acetamide, 2-((5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 0.7919 |
| Topological Polar Surface Area | 100.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 588.339 |
Chemical Identifiers
| CAS Number | 296772-50-4 |
|---|---|
| SMILES | CCC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=CC=N2 |
Product Overview
ChemDiv1_010949 (CAS 296772-50-4), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: 2-[(5-ethyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide.
Chemical Property Profile of ChemDiv1_010949
Property Insights of ChemDiv1_010949
The XLogP value of 0.7919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010949. The TPSA of 100.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010949. Following Lipinski's Rule of Five, ChemDiv1_010949 has 2 hydrogen bond donor(s) and 5 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 ChemDiv1_010949?
The CAS number of ChemDiv1_010949 is 296772-50-4.
What is the molecular formula of ChemDiv1_010949?
The molecular formula of ChemDiv1_010949 is C13H14N4O3S.
What is the molecular weight of ChemDiv1_010949?
The molecular weight of ChemDiv1_010949 is 306.08 g/mol.
Where can I buy ChemDiv1_010949?
You can request a quote for ChemDiv1_010949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010949?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.