AN-988/14197032
TL;DR: AN-988/14197032 (CAS 354121-58-7) 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.
7-[(3,4-dichlorophenyl)methyl]-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AN-988/14197032, 7-[(3,4-dichlorophenyl)methyl]-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione, A2454/0104130, 7-(3,4-dichlorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(3,4-DICHLOROPHENYL)METHYL]-8-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-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 | 1427.6503 |
Chemical Identifiers
| CAS Number | 354121-58-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3F)CC4=CC(=C(C=C4)Cl)Cl |
Product Overview
AN-988/14197032 (CAS 354121-58-7), with molecular formula C21H17Cl2FN4O2S and molecular weight 478.04 g/mol. IUPAC: 7-[(3,4-dichlorophenyl)methyl]-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AN-988/14197032
Property Insights of AN-988/14197032
The XLogP value of 4.2202 indicates that AN-988/14197032 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-988/14197032. Following Lipinski's Rule of Five, AN-988/14197032 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-988/14197032?
The CAS number of AN-988/14197032 is 354121-58-7.
What is the molecular formula of AN-988/14197032?
The molecular formula of AN-988/14197032 is C21H17Cl2FN4O2S.
What is the molecular weight of AN-988/14197032?
The molecular weight of AN-988/14197032 is 478.04 g/mol.
Where can I buy AN-988/14197032?
You can request a quote for AN-988/14197032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/14197032?
Yes, KEHONG BIO provides custom synthesis services for AN-988/14197032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.