![2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide structure](/static/products/6906/690694-75-8.webp)
2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide
TL;DR: 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide (CAS 690694-75-8) is a chemical compound with molecular formula C23H22ClN5O3S and molecular weight 483.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide
Also Known As: 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide, 2-{[1-(2-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C23H22ClN5O3S |
|---|---|
| Molecular Weight | 483.11 g/mol |
| LogP | 3.17462 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.1132 |
| Heavy Atoms | 33 |
| Complexity | 1487.9664 |
Chemical Identifiers
| CAS Number | 690694-75-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl |
Product Overview
2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide (CAS 690694-75-8), with molecular formula C23H22ClN5O3S and molecular weight 483.11 g/mol. IUPAC: 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide
Property Insights of 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide
The XLogP value of 3.17462 indicates that 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide 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 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The CAS number of 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide is 690694-75-8.
What is the molecular formula of 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The molecular formula of 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide is C23H22ClN5O3S.
What is the molecular weight of 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The molecular weight of 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide is 483.11 g/mol.
Where can I buy 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide?
You can request a quote for 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.