![7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione structure](/static/products/3271/327170-52-5.webp)
7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione
TL;DR: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione (CAS 327170-52-5) is a chemical compound with molecular formula C12H15ClN4O3S and molecular weight 330.06 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-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00491871, AB00094186-01, 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(3-CL-BUT-2-ENYL)-8-(2-HO-ETHYLSULFANYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
| Molecular Formula | C12H15ClN4O3S |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 0.6503 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.05533 |
| Heavy Atoms | 21 |
| Complexity | 801.1611 |
Chemical Identifiers
| CAS Number | 327170-52-5 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C)/Cl |
Product Overview
7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione (CAS 327170-52-5), with molecular formula C12H15ClN4O3S and molecular weight 330.06 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione
Property Insights of 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione
The XLogP value of 0.6503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione has 2 hydrogen bond donor(s) and 5 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-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione?
The CAS number of 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione is 327170-52-5.
What is the molecular formula of 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione?
The molecular formula of 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione is C12H15ClN4O3S.
What is the molecular weight of 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione?
The molecular weight of 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione is 330.06 g/mol.
Where can I buy 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione?
You can request a quote for 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-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-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.