![7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/316/316360-40-4.png)
7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 316360-40-4) is a chemical compound with molecular formula C17H16Cl2N4O2S and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-3-chlorobut-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(4-CL-BENZYL)-8-(3-CL-BUT-2-ENYLSULFANYL)-3-ME-3,7-DIHYDRO-PURINE-2,6-DIONE, 8-[(E)-3-chlorobut-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione, (E)-7-(4-chlorobenzyl)-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C17H16Cl2N4O2S |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 3.3597 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0371 |
| Heavy Atoms | 26 |
| Complexity | 1092.8789 |
Chemical Identifiers
| CAS Number | 316360-40-4 |
|---|---|
| SMILES | C/C(=C\CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C)/Cl |
Product Overview
7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 316360-40-4), with molecular formula C17H16Cl2N4O2S and molecular weight 410.04 g/mol. IUPAC: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.3597 indicates that 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-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-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 316360-40-4.
What is the molecular formula of 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C17H16Cl2N4O2S.
What is the molecular weight of 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 410.04 g/mol.
Where can I buy 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-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-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.