BAS 00964956
TL;DR: BAS 00964956 (CAS 303972-86-3) is a chemical compound with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide
Also Known As: BAS 00964956, AB01281416-01, 2-((7-hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide, 2-[(7-hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide, F0372-0533
| Molecular Formula | C20H25N5O3S |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 2.7344 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.16782 |
| Heavy Atoms | 29 |
| Complexity | 1100.9875 |
Chemical Identifiers
| CAS Number | 303972-86-3 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 00964956 (CAS 303972-86-3), with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol. IUPAC: 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide.
Chemical Property Profile of BAS 00964956
Property Insights of BAS 00964956
The XLogP value of 2.7344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964956. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964956. Following Lipinski's Rule of Five, BAS 00964956 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 BAS 00964956?
The CAS number of BAS 00964956 is 303972-86-3.
What is the molecular formula of BAS 00964956?
The molecular formula of BAS 00964956 is C20H25N5O3S.
What is the molecular weight of BAS 00964956?
The molecular weight of BAS 00964956 is 415.17 g/mol.
Where can I buy BAS 00964956?
You can request a quote for BAS 00964956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964956?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.