AN-465/14964842
TL;DR: AN-465/14964842 (CAS 400065-75-0) is a chemical compound with molecular formula C22H21FN4O2S and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
Also Known As: AN-465/14964842, A2639/0112357, 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione, 8-[(4-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 8-{[(4-FLUOROPHENYL)METHYL]SULFANYL}-1,3-DIMETHYL-7-[(2-METHYLPHENYL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H21FN4O2S |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 3.22182 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.13693 |
| Heavy Atoms | 30 |
| Complexity | 1352.8082 |
Chemical Identifiers
| CAS Number | 400065-75-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C3=C(N=C2SCC4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C |
Product Overview
AN-465/14964842 (CAS 400065-75-0), with molecular formula C22H21FN4O2S and molecular weight 424.14 g/mol. IUPAC: 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of AN-465/14964842
Property Insights of AN-465/14964842
The XLogP value of 3.22182 indicates that AN-465/14964842 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-465/14964842. Following Lipinski's Rule of Five, AN-465/14964842 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-465/14964842?
The CAS number of AN-465/14964842 is 400065-75-0.
What is the molecular formula of AN-465/14964842?
The molecular formula of AN-465/14964842 is C22H21FN4O2S.
What is the molecular weight of AN-465/14964842?
The molecular weight of AN-465/14964842 is 424.14 g/mol.
Where can I buy AN-465/14964842?
You can request a quote for AN-465/14964842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/14964842?
Yes, KEHONG BIO provides custom synthesis services for AN-465/14964842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.