AB01282245-01
TL;DR: AB01282245-01 (CAS 879468-76-5) 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-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: AB01282245-01, 8-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione, 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-chlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 8-((1H-benzo[d]imidazol-2-yl)thio)-7-(2-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 | 1497.1736 |
Chemical Identifiers
| CAS Number | 879468-76-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=CC=C5Cl |
Product Overview
AB01282245-01 (CAS 879468-76-5), with molecular formula C20H15ClN6O2S and molecular weight 438.07 g/mol. IUPAC: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of AB01282245-01
Property Insights of AB01282245-01
The XLogP value of 3.1525 indicates that AB01282245-01 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 AB01282245-01. Following Lipinski's Rule of Five, AB01282245-01 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 AB01282245-01?
The CAS number of AB01282245-01 is 879468-76-5.
What is the molecular formula of AB01282245-01?
The molecular formula of AB01282245-01 is C20H15ClN6O2S.
What is the molecular weight of AB01282245-01?
The molecular weight of AB01282245-01 is 438.07 g/mol.
Where can I buy AB01282245-01?
You can request a quote for AB01282245-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01282245-01?
Yes, KEHONG BIO provides custom synthesis services for AB01282245-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.