BAS 00964793
TL;DR: BAS 00964793 (CAS 306733-06-2) is a chemical compound with molecular formula C15H22N4O2S and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Also Known As: BAS 00964793, A2183/0091761, 7-[(E)-but-2-enyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione, (E)-7-(but-2-en-1-yl)-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(E)-2-butenyl]-8-(isopentylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H22N4O2S |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 2.1376 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.14636 |
| Heavy Atoms | 22 |
| Complexity | 798.2009 |
Chemical Identifiers
| CAS Number | 306733-06-2 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C |
Product Overview
BAS 00964793 (CAS 306733-06-2), with molecular formula C15H22N4O2S and molecular weight 322.15 g/mol. IUPAC: 7-[(E)-but-2-enyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 00964793
Property Insights of BAS 00964793
The XLogP value of 2.1376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964793. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964793. Following Lipinski's Rule of Five, BAS 00964793 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 00964793?
The CAS number of BAS 00964793 is 306733-06-2.
What is the molecular formula of BAS 00964793?
The molecular formula of BAS 00964793 is C15H22N4O2S.
What is the molecular weight of BAS 00964793?
The molecular weight of BAS 00964793 is 322.15 g/mol.
Where can I buy BAS 00964793?
You can request a quote for BAS 00964793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964793?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.