![8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione structure](/static/products/306/306732-97-8.png)
8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
TL;DR: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione (CAS 306732-97-8) is a chemical compound with molecular formula C17H15N5O2S2 and molecular weight 385.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
Also Known As: VU0510991-1, AB00689214-01, F3164-1180, (E)-8-(benzo[d]thiazol-2-ylthio)-7-(but-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
| Molecular Formula | C17H15N5O2S2 |
|---|---|
| Molecular Weight | 385.07 g/mol |
| LogP | 2.7603 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.0667 |
| Heavy Atoms | 26 |
| Complexity | 1228.8606 |
Chemical Identifiers
| CAS Number | 306732-97-8 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C |
Product Overview
8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione (CAS 306732-97-8), with molecular formula C17H15N5O2S2 and molecular weight 385.07 g/mol. IUPAC: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
Property Insights of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
The XLogP value of 2.7603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione. The TPSA of 85.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione has 1 hydrogen bond donor(s) and 6 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 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
The CAS number of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione is 306732-97-8.
What is the molecular formula of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
The molecular formula of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione is C17H15N5O2S2.
What is the molecular weight of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
The molecular weight of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione is 385.07 g/mol.
Where can I buy 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
You can request a quote for 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.