![8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/3136/313665-37-1.webp)
8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione (CAS 313665-37-1) is a chemical compound with molecular formula C21H26N6O2S and molecular weight 426.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-octylpurine-2,6-dione
Also Known As: BAS 00341121, AB00675543-01, 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione, F1614-0334, 8-(1H-1,3-benzodiazol-2-ylsulfanyl)-3-methyl-7-octyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H26N6O2S |
|---|---|
| Molecular Weight | 426.18 g/mol |
| LogP | 3.8113 |
| Topological Polar Surface Area | 101.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.1838 |
| Heavy Atoms | 30 |
| Complexity | 1249.3625 |
Chemical Identifiers
| CAS Number | 313665-37-1 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C |
Product Overview
8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione (CAS 313665-37-1), with molecular formula C21H26N6O2S and molecular weight 426.18 g/mol. IUPAC: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-octylpurine-2,6-dione.
Chemical Property Profile of 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.8113 indicates that 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione has 2 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-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione is 313665-37-1.
What is the molecular formula of 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione is C21H26N6O2S.
What is the molecular weight of 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione is 426.18 g/mol.
Where can I buy 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-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-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.