BAS 00964917
TL;DR: BAS 00964917 (CAS 333769-05-4) is a chemical compound with molecular formula C17H19N5O4S and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide
Also Known As: BAS 00964917, 2-{[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide, 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide, 2-((7-(2-methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide, 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo(1,3,7-trihydropurin-8-ylthio)]-N-phen ylacetamide
| Molecular Formula | C17H19N5O4S |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 0.8005 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.11578 |
| Heavy Atoms | 27 |
| Complexity | 1070.6027 |
Chemical Identifiers
| CAS Number | 333769-05-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CCOC |
Product Overview
BAS 00964917 (CAS 333769-05-4), with molecular formula C17H19N5O4S and molecular weight 389.12 g/mol. IUPAC: 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide.
Chemical Property Profile of BAS 00964917
Property Insights of BAS 00964917
The XLogP value of 0.8005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964917. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964917. Following Lipinski's Rule of Five, BAS 00964917 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 BAS 00964917?
The CAS number of BAS 00964917 is 333769-05-4.
What is the molecular formula of BAS 00964917?
The molecular formula of BAS 00964917 is C17H19N5O4S.
What is the molecular weight of BAS 00964917?
The molecular weight of BAS 00964917 is 389.12 g/mol.
Where can I buy BAS 00964917?
You can request a quote for BAS 00964917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964917?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.