AB00675528-01
TL;DR: AB00675528-01 (CAS 672941-90-1) is a chemical compound with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione
Also Known As: AB00675528-01, F1614-0188, 7-(2-chlorobenzyl)-1,3-dimethyl-8-(p-tolylthio)-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H19ClN4O2S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 3.59502 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.09174 |
| Heavy Atoms | 29 |
| Complexity | 1336.038 |
Chemical Identifiers
| CAS Number | 672941-90-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C |
Product Overview
AB00675528-01 (CAS 672941-90-1), with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione.
Chemical Property Profile of AB00675528-01
Property Insights of AB00675528-01
The XLogP value of 3.59502 indicates that AB00675528-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675528-01. Following Lipinski's Rule of Five, AB00675528-01 has 0 hydrogen bond donor(s) and 4 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 AB00675528-01?
The CAS number of AB00675528-01 is 672941-90-1.
What is the molecular formula of AB00675528-01?
The molecular formula of AB00675528-01 is C21H19ClN4O2S.
What is the molecular weight of AB00675528-01?
The molecular weight of AB00675528-01 is 426.09 g/mol.
Where can I buy AB00675528-01?
You can request a quote for AB00675528-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675528-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675528-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.