BAS 00964806
TL;DR: BAS 00964806 (CAS 296244-45-6) is a chemical compound with molecular formula C14H17ClN4O2S and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00964806, AB00153323-02, A2183/0091763, 7-[(E)-but-2-enyl]-8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methylpurine-2,6-dione, 7-((E)-but-2-en-1-yl)-8-(((Z)-3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C14H17ClN4O2S |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 2.2341 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.07608 |
| Heavy Atoms | 22 |
| Complexity | 856.0756 |
Chemical Identifiers
| CAS Number | 296244-45-6 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SC/C=C(/C)\Cl)N(C(=O)NC2=O)C |
Product Overview
BAS 00964806 (CAS 296244-45-6), with molecular formula C14H17ClN4O2S and molecular weight 340.08 g/mol. IUPAC: 7-[(E)-but-2-enyl]-8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00964806
Property Insights of BAS 00964806
The XLogP value of 2.2341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964806. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964806. Following Lipinski's Rule of Five, BAS 00964806 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 00964806?
The CAS number of BAS 00964806 is 296244-45-6.
What is the molecular formula of BAS 00964806?
The molecular formula of BAS 00964806 is C14H17ClN4O2S.
What is the molecular weight of BAS 00964806?
The molecular weight of BAS 00964806 is 340.08 g/mol.
Where can I buy BAS 00964806?
You can request a quote for BAS 00964806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964806?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.