BAS 00844562
TL;DR: BAS 00844562 (CAS 332897-26-4) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(3-methylphenyl)methyl]-8-(2-phenylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 00844562, AB01303434-01, F0372-0484, 3-methyl-7-[(3-methylphenyl)methyl]-8-[(2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-7-[(3-methylphenyl)methyl]-8-phenethylsulfanylpurine-2,6-dione
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.11482 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1271.7023 |
Chemical Identifiers
| CAS Number | 332897-26-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCCC4=CC=CC=C4)N(C(=O)NC3=O)C |
Product Overview
BAS 00844562 (CAS 332897-26-4), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-(2-phenylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 00844562
Property Insights of BAS 00844562
The XLogP value of 3.11482 indicates that BAS 00844562 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00844562. Following Lipinski's Rule of Five, BAS 00844562 has 1 hydrogen bond donor(s) and 4 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 00844562?
The CAS number of BAS 00844562 is 332897-26-4.
What is the molecular formula of BAS 00844562?
The molecular formula of BAS 00844562 is C22H22N4O2S.
What is the molecular weight of BAS 00844562?
The molecular weight of BAS 00844562 is 406.15 g/mol.
Where can I buy BAS 00844562?
You can request a quote for BAS 00844562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00844562?
Yes, KEHONG BIO provides custom synthesis services for BAS 00844562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.