![7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione structure](/static/products/1164/1164545-30-5.webp)
7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione
TL;DR: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione (CAS 1164545-30-5) is a chemical compound with molecular formula C11H13ClN4O2S and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione
Also Known As: BAS 00491875, 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione, 7-(3-chloro-2-butenyl)-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, (E)-7-(3-chlorobut-2-en-1-yl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione, 7-[(2E)-3-chlorobut-2-en-1-yl]-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C11H13ClN4O2S |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 1.2878 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.04477 |
| Heavy Atoms | 19 |
| Complexity | 767.3188 |
Chemical Identifiers
| CAS Number | 1164545-30-5 |
|---|---|
| SMILES | C/C(=C\CN1C2=C(N=C1SC)N(C(=O)NC2=O)C)/Cl |
Product Overview
7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione (CAS 1164545-30-5), with molecular formula C11H13ClN4O2S and molecular weight 300.04 g/mol. IUPAC: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione
Property Insights of 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione
The XLogP value of 1.2878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione 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 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione?
The CAS number of 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione is 1164545-30-5.
What is the molecular formula of 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione?
The molecular formula of 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione is C11H13ClN4O2S.
What is the molecular weight of 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione?
The molecular weight of 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione is 300.04 g/mol.
Where can I buy 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione?
You can request a quote for 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-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 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.