BAS 07401835
TL;DR: BAS 07401835 (CAS 672331-58-7) is a chemical compound with molecular formula C21H18N6O2S and molecular weight 418.12 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-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 07401835, 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione, 8-(1H-1,3-benzodiazol-2-ylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-benzimidazol-2-ylthio-3-methyl-7-[(4-methylphenyl)methyl]-1,3,7-trihydropuri ne-2,6-dione
| Molecular Formula | C21H18N6O2S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 2.80752 |
| Topological Polar Surface Area | 101.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.1212 |
| Heavy Atoms | 30 |
| Complexity | 1474.1234 |
Chemical Identifiers
| CAS Number | 672331-58-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=NC5=CC=CC=C5N4)N(C(=O)NC3=O)C |
Product Overview
BAS 07401835 (CAS 672331-58-7), with molecular formula C21H18N6O2S and molecular weight 418.12 g/mol. IUPAC: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 07401835
Property Insights of BAS 07401835
The XLogP value of 2.80752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07401835. The TPSA of 101.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07401835. Following Lipinski's Rule of Five, BAS 07401835 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 BAS 07401835?
The CAS number of BAS 07401835 is 672331-58-7.
What is the molecular formula of BAS 07401835?
The molecular formula of BAS 07401835 is C21H18N6O2S.
What is the molecular weight of BAS 07401835?
The molecular weight of BAS 07401835 is 418.12 g/mol.
Where can I buy BAS 07401835?
You can request a quote for BAS 07401835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07401835?
Yes, KEHONG BIO provides custom synthesis services for BAS 07401835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.