BAS 04914645
TL;DR: BAS 04914645 (CAS 442864-51-9) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-methoxyethylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 04914645, AB00147669-02, 8-[(2-methoxyethyl)sulfanyl]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 8-((2-methoxyethyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-(2-methoxyethylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.52892 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 1064.7091 |
Chemical Identifiers
| CAS Number | 442864-51-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCCOC)N(C(=O)N(C3=O)C)C |
Product Overview
BAS 04914645 (CAS 442864-51-9), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: 8-(2-methoxyethylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 04914645
Property Insights of BAS 04914645
The XLogP value of 1.52892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914645. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914645. Following Lipinski's Rule of Five, BAS 04914645 has 0 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 04914645?
The CAS number of BAS 04914645 is 442864-51-9.
What is the molecular formula of BAS 04914645?
The molecular formula of BAS 04914645 is C18H22N4O3S.
What is the molecular weight of BAS 04914645?
The molecular weight of BAS 04914645 is 374.14 g/mol.
Where can I buy BAS 04914645?
You can request a quote for BAS 04914645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914645?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.