AN-989/40659743
TL;DR: AN-989/40659743 (CAS 441316-89-8) is a chemical compound with molecular formula C21H17Cl2FN4O2S and molecular weight 478.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AN-989/40659743, AB00673445-01, 7-(4-chlorobenzyl)-8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, F1144-0159, 8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H17Cl2FN4O2S |
|---|---|
| Molecular Weight | 478.04 g/mol |
| LogP | 4.2202 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.04333 |
| Heavy Atoms | 31 |
| Complexity | 1390.1503 |
Chemical Identifiers
| CAS Number | 441316-89-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=C(C=C4)Cl |
Product Overview
AN-989/40659743 (CAS 441316-89-8), with molecular formula C21H17Cl2FN4O2S and molecular weight 478.04 g/mol. IUPAC: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AN-989/40659743
Property Insights of AN-989/40659743
The XLogP value of 4.2202 indicates that AN-989/40659743 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 AN-989/40659743. Following Lipinski's Rule of Five, AN-989/40659743 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 AN-989/40659743?
The CAS number of AN-989/40659743 is 441316-89-8.
What is the molecular formula of AN-989/40659743?
The molecular formula of AN-989/40659743 is C21H17Cl2FN4O2S.
What is the molecular weight of AN-989/40659743?
The molecular weight of AN-989/40659743 is 478.04 g/mol.
Where can I buy AN-989/40659743?
You can request a quote for AN-989/40659743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40659743?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40659743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.