ChemDiv1_017628
TL;DR: ChemDiv1_017628 (CAS 6334-84-5) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
Also Known As: ChemDiv1_017628, BAS 02104788, AB00105390-01, 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide, A1969/0082794
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 1.0196 |
| Topological Polar Surface Area | 113.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 841.9916 |
Chemical Identifiers
| CAS Number | 6334-84-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(=O)NC(=NC2=O)SCC(=O)NC3=NC=CC=N3 |
Product Overview
ChemDiv1_017628 (CAS 6334-84-5), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: 2-[(5-benzyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide.
Chemical Property Profile of ChemDiv1_017628
Property Insights of ChemDiv1_017628
The XLogP value of 1.0196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017628. The TPSA of 113.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017628. Following Lipinski's Rule of Five, ChemDiv1_017628 has 2 hydrogen bond donor(s) and 6 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_017628?
The CAS number of ChemDiv1_017628 is 6334-84-5.
What is the molecular formula of ChemDiv1_017628?
The molecular formula of ChemDiv1_017628 is C17H15N5O3S.
What is the molecular weight of ChemDiv1_017628?
The molecular weight of ChemDiv1_017628 is 369.09 g/mol.
Where can I buy ChemDiv1_017628?
You can request a quote for ChemDiv1_017628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017628?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.