8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
TL;DR: 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione (CAS 899726-40-0) is a chemical compound with molecular formula C16H16N6O3S and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: starbld0001522, UPCMLD0ENAT5733482:001, VU0510993-1, F3164-1192, 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
| Molecular Formula | C16H16N6O3S |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 1.0972 |
| Topological Polar Surface Area | 110.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.10046 |
| Heavy Atoms | 26 |
| Complexity | 1185.3926 |
Chemical Identifiers
| CAS Number | 899726-40-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CCOC |
Product Overview
8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione (CAS 899726-40-0), with molecular formula C16H16N6O3S and molecular weight 372.10 g/mol. IUPAC: 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Property Insights of 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
The XLogP value of 1.0972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione. The TPSA of 110.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-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-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
The CAS number of 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione is 899726-40-0.
What is the molecular formula of 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
The molecular formula of 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione is C16H16N6O3S.
What is the molecular weight of 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
The molecular weight of 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione is 372.10 g/mol.
Where can I buy 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
You can request a quote for 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-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-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.