![7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/3733/373375-42-9.webp)
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 373375-42-9) is a chemical compound with molecular formula C22H29ClN4O2S and molecular weight 448.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione
Also Known As: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione, 7-(2-chlorobenzyl)-1,3-dimethyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanyl-purine-2,6-dione, 7-(2-chlorobenzyl)-1,3-dimethyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H29ClN4O2S |
|---|---|
| Molecular Weight | 448.17 g/mol |
| LogP | 4.588 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 448.16998 |
| Heavy Atoms | 30 |
| Complexity | 1132.5935 |
Chemical Identifiers
| CAS Number | 373375-42-9 |
|---|---|
| SMILES | CCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C |
Product Overview
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 373375-42-9), with molecular formula C22H29ClN4O2S and molecular weight 448.17 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 4.588 indicates that 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 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-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 373375-42-9.
What is the molecular formula of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C22H29ClN4O2S.
What is the molecular weight of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 448.17 g/mol.
Where can I buy 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-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-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.