BAS 07401851
TL;DR: BAS 07401851 (CAS 672944-44-4) is a chemical compound with molecular formula C20H15ClN6O2S and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1H-benzimidazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 07401851, AB00675524-01, F1614-0181, 8-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-((1H-benzo[d]imidazol-2-yl)thio)-7-(4-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H15ClN6O2S |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 3.1525 |
| Topological Polar Surface Area | 101.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.06656 |
| Heavy Atoms | 30 |
| Complexity | 1479.9236 |
Chemical Identifiers
| CAS Number | 672944-44-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=C(C=C5)Cl |
Product Overview
BAS 07401851 (CAS 672944-44-4), with molecular formula C20H15ClN6O2S and molecular weight 438.07 g/mol. IUPAC: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 07401851
Property Insights of BAS 07401851
The XLogP value of 3.1525 indicates that BAS 07401851 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 BAS 07401851. Following Lipinski's Rule of Five, BAS 07401851 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 07401851?
The CAS number of BAS 07401851 is 672944-44-4.
What is the molecular formula of BAS 07401851?
The molecular formula of BAS 07401851 is C20H15ClN6O2S.
What is the molecular weight of BAS 07401851?
The molecular weight of BAS 07401851 is 438.07 g/mol.
Where can I buy BAS 07401851?
You can request a quote for BAS 07401851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07401851?
Yes, KEHONG BIO provides custom synthesis services for BAS 07401851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.