BAS 00964897
TL;DR: BAS 00964897 (CAS 296244-47-8) is a chemical compound with molecular formula C13H17ClN4O3S and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00964897, 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, (Z)-8-((3-chlorobut-2-en-1-yl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-((2Z)-3-chlorobut-2-enylthio)-7-(2-methoxyethyl)-3-methyl-1,3,7-trihydropuri ne-2,6-dione
| Molecular Formula | C13H17ClN4O3S |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 1.3044 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.07098 |
| Heavy Atoms | 22 |
| Complexity | 817.02515 |
Chemical Identifiers
| CAS Number | 296244-47-8 |
|---|---|
| SMILES | C/C(=C/CSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C)/Cl |
Product Overview
BAS 00964897 (CAS 296244-47-8), with molecular formula C13H17ClN4O3S and molecular weight 344.07 g/mol. IUPAC: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00964897
Property Insights of BAS 00964897
The XLogP value of 1.3044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964897. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964897. Following Lipinski's Rule of Five, BAS 00964897 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 00964897?
The CAS number of BAS 00964897 is 296244-47-8.
What is the molecular formula of BAS 00964897?
The molecular formula of BAS 00964897 is C13H17ClN4O3S.
What is the molecular weight of BAS 00964897?
The molecular weight of BAS 00964897 is 344.07 g/mol.
Where can I buy BAS 00964897?
You can request a quote for BAS 00964897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964897?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.