![8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione structure](/static/products/331/331675-44-6.png)
8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione
TL;DR: 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione (CAS 331675-44-6) is a chemical compound with molecular formula C22H21ClN4O4S and molecular weight 472.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
Also Known As: 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione, 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione, 8-(benzylsulfanyl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-(benzylthio)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H21ClN4O4S |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 2.8089 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.0972 |
| Heavy Atoms | 32 |
| Complexity | 1332.5475 |
Chemical Identifiers
| CAS Number | 331675-44-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)Cl)O |
Product Overview
8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione (CAS 331675-44-6), with molecular formula C22H21ClN4O4S and molecular weight 472.10 g/mol. IUPAC: 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione
Property Insights of 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione
The XLogP value of 2.8089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione. Following Lipinski's Rule of Five, 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-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-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione?
The CAS number of 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione is 331675-44-6.
What is the molecular formula of 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione?
The molecular formula of 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione is C22H21ClN4O4S.
What is the molecular weight of 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione?
The molecular weight of 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione is 472.10 g/mol.
Where can I buy 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione?
You can request a quote for 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-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 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-benzylsulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.