BAS 00396578
TL;DR: BAS 00396578 (CAS 331672-05-0) is a chemical compound with molecular formula C23H30N4O3S and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-nonyl-8-phenacylsulfanylpurine-2,6-dione
Also Known As: BAS 00396578, 3-methyl-7-nonyl-8-phenacylsulfanylpurine-2,6-dione, 3-methyl-7-nonyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-nonyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione, 3-Methyl-7-nonyl-8-(2-oxo-2-phenyl-ethylsulfanyl)-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C23H30N4O3S |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 4.1489 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 442.20386 |
| Heavy Atoms | 31 |
| Complexity | 1131.4144 |
Chemical Identifiers
| CAS Number | 331672-05-0 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 00396578 (CAS 331672-05-0), with molecular formula C23H30N4O3S and molecular weight 442.20 g/mol. IUPAC: 3-methyl-7-nonyl-8-phenacylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 00396578
Property Insights of BAS 00396578
The XLogP value of 4.1489 indicates that BAS 00396578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00396578. Following Lipinski's Rule of Five, BAS 00396578 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 00396578?
The CAS number of BAS 00396578 is 331672-05-0.
What is the molecular formula of BAS 00396578?
The molecular formula of BAS 00396578 is C23H30N4O3S.
What is the molecular weight of BAS 00396578?
The molecular weight of BAS 00396578 is 442.20 g/mol.
Where can I buy BAS 00396578?
You can request a quote for BAS 00396578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00396578?
Yes, KEHONG BIO provides custom synthesis services for BAS 00396578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.