8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 313470-49-4) is a chemical compound with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5730900:001, BAS 00964892, AB00395351-09, 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0381-3402
| Molecular Formula | C16H17ClN4O3S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.07098 |
| Heavy Atoms | 25 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 313470-49-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CCOC |
| InChIKey | REBXJOJFWIHDHU-UHFFFAOYSA-N |
Product Overview
8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 313470-49-4), with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol. IUPAC: 8-[(2-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 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 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 313470-49-4.
What is the molecular formula of 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C16H17ClN4O3S.
What is the molecular weight of 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 380.07 g/mol.
Where can I buy 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.