BAS 00964895
TL;DR: BAS 00964895 (CAS 332897-55-9) is a chemical compound with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methoxyethyl)-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione
Also Known As: BAS 00964895, F0372-0651, 7-(2-methoxyethyl)-3-methyl-8-{[(3-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-methoxyethyl)-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione, 7-(2-methoxyethyl)-3-methyl-8-((3-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H20N4O3S |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 1.67042 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.1256 |
| Heavy Atoms | 25 |
| Complexity | 1018.8854 |
Chemical Identifiers
| CAS Number | 332897-55-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC3=C(N2CCOC)C(=O)NC(=O)N3C |
Product Overview
BAS 00964895 (CAS 332897-55-9), with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol. IUPAC: 7-(2-methoxyethyl)-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione.
Chemical Property Profile of BAS 00964895
Property Insights of BAS 00964895
The XLogP value of 1.67042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964895. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964895. Following Lipinski's Rule of Five, BAS 00964895 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 00964895?
The CAS number of BAS 00964895 is 332897-55-9.
What is the molecular formula of BAS 00964895?
The molecular formula of BAS 00964895 is C17H20N4O3S.
What is the molecular weight of BAS 00964895?
The molecular weight of BAS 00964895 is 360.13 g/mol.
Where can I buy BAS 00964895?
You can request a quote for BAS 00964895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964895?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.