BAS 00964890
TL;DR: BAS 00964890 (CAS 296244-46-7) is a chemical compound with molecular formula C21H36N4O3S and molecular weight 424.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-dodecylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00964890, UPCMLD0ENAT5835107:001, 8-dodecylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, 8-(dodecylsulfanyl)-7-(2-methoxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, A2183/0091765
| Molecular Formula | C21H36N4O3S |
|---|---|
| Molecular Weight | 424.25 g/mol |
| LogP | 4.0827 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 424.25082 |
| Heavy Atoms | 29 |
| Complexity | 855.95386 |
Chemical Identifiers
| CAS Number | 296244-46-7 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C |
Product Overview
BAS 00964890 (CAS 296244-46-7), with molecular formula C21H36N4O3S and molecular weight 424.25 g/mol. IUPAC: 8-dodecylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00964890
Property Insights of BAS 00964890
The XLogP value of 4.0827 indicates that BAS 00964890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964890. Following Lipinski's Rule of Five, BAS 00964890 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 00964890?
The CAS number of BAS 00964890 is 296244-46-7.
What is the molecular formula of BAS 00964890?
The molecular formula of BAS 00964890 is C21H36N4O3S.
What is the molecular weight of BAS 00964890?
The molecular weight of BAS 00964890 is 424.25 g/mol.
Where can I buy BAS 00964890?
You can request a quote for BAS 00964890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964890?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.