AB00675539-01
TL;DR: AB00675539-01 (CAS 848756-18-3) is a chemical compound with molecular formula C21H17ClN6O2S and molecular weight 452.08 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]-1,3-dimethylpurine-2,6-dione
Also Known As: AB00675539-01, 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((1H-benzo[d]imidazol-2-yl)thio)-7-(2-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H17ClN6O2S |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | 3.1629 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.0822 |
| Heavy Atoms | 31 |
| Complexity | 1545.8885 |
Chemical Identifiers
| CAS Number | 848756-18-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=CC=C5Cl |
Product Overview
AB00675539-01 (CAS 848756-18-3), with molecular formula C21H17ClN6O2S and molecular weight 452.08 g/mol. IUPAC: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB00675539-01
Property Insights of AB00675539-01
The XLogP value of 3.1629 indicates that AB00675539-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675539-01. Following Lipinski's Rule of Five, AB00675539-01 has 1 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 AB00675539-01?
The CAS number of AB00675539-01 is 848756-18-3.
What is the molecular formula of AB00675539-01?
The molecular formula of AB00675539-01 is C21H17ClN6O2S.
What is the molecular weight of AB00675539-01?
The molecular weight of AB00675539-01 is 452.08 g/mol.
Where can I buy AB00675539-01?
You can request a quote for AB00675539-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675539-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675539-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.