![7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione structure](/static/products/140/1404306-95-1.png)
7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione
TL;DR: 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione (CAS 1404306-95-1) is a chemical compound with molecular formula C14H18Cl2N4O2S and molecular weight 376.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00552923, 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione, 7-(3-chloro-2-butenyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(3-CL-BUT-2-ENYL)-8-(4-CL-BUTYLSULFANYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE, (Z)-7-(3-chlorobut-2-en-1-yl)-8-((4-chlorobutyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C14H18Cl2N4O2S |
|---|---|
| Molecular Weight | 376.05 g/mol |
| LogP | 2.677 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.05276 |
| Heavy Atoms | 23 |
| Complexity | 833.64044 |
Chemical Identifiers
| CAS Number | 1404306-95-1 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1SCCCCCl)N(C(=O)NC2=O)C)/Cl |
Product Overview
7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione (CAS 1404306-95-1), with molecular formula C14H18Cl2N4O2S and molecular weight 376.05 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione
Property Insights of 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione
The XLogP value of 2.677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-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-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione?
The CAS number of 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione is 1404306-95-1.
What is the molecular formula of 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione?
The molecular formula of 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione is C14H18Cl2N4O2S.
What is the molecular weight of 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione?
The molecular weight of 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione is 376.05 g/mol.
Where can I buy 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione?
You can request a quote for 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-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 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.