![8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione structure](/static/products/331/331675-54-8.png)
8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
TL;DR: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione (CAS 331675-54-8) is a chemical compound with molecular formula C19H21ClN4O4S and molecular weight 436.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione, (Z)-8-((3-chlorobut-2-en-1-yl)thio)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H21ClN4O4S |
|---|---|
| Molecular Weight | 436.10 g/mol |
| LogP | 2.0979 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 436.0972 |
| Heavy Atoms | 29 |
| Complexity | 1132.802 |
Chemical Identifiers
| CAS Number | 331675-54-8 |
|---|---|
| SMILES | C/C(=C/CSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)/Cl |
Product Overview
8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione (CAS 331675-54-8), with molecular formula C19H21ClN4O4S and molecular weight 436.10 g/mol. IUPAC: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Property Insights of 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
The XLogP value of 2.0979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione has 2 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-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
The CAS number of 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione is 331675-54-8.
What is the molecular formula of 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
The molecular formula of 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione is C19H21ClN4O4S.
What is the molecular weight of 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
The molecular weight of 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione is 436.10 g/mol.
Where can I buy 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
You can request a quote for 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-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-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.