BAS 06976242
TL;DR: BAS 06976242 (CAS 665013-39-8) 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-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
Also Known As: BAS 06976242, AN-465/41401139, 2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide, 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide, N-mesityl-2-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanamide
| Molecular Formula | C20H25N5O3S |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 2.01526 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.16782 |
| Heavy Atoms | 29 |
| Complexity | 1228.7009 |
Chemical Identifiers
| CAS Number | 665013-39-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C |
Product Overview
BAS 06976242 (CAS 665013-39-8), with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol. IUPAC: 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide.
Chemical Property Profile of BAS 06976242
Property Insights of BAS 06976242
The XLogP value of 2.01526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06976242. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06976242. Following Lipinski's Rule of Five, BAS 06976242 has 1 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 06976242?
The CAS number of BAS 06976242 is 665013-39-8.
What is the molecular formula of BAS 06976242?
The molecular formula of BAS 06976242 is C20H25N5O3S.
What is the molecular weight of BAS 06976242?
The molecular weight of BAS 06976242 is 415.17 g/mol.
Where can I buy BAS 06976242?
You can request a quote for BAS 06976242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06976242?
Yes, KEHONG BIO provides custom synthesis services for BAS 06976242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.