AB00395936-06
TL;DR: AB00395936-06 (CAS 1164456-52-3) is a chemical compound with molecular formula C24H22FN5O2 and molecular weight 431.17575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(4-fluorophenyl)-1-methyl-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: AB00395936-06, 9-(4-fluorophenyl)-1-methyl-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(4-fluorophenyl)-1-methyl-3-[(2E)-3-phenylprop-2-en-1-yl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-((2E)-3-phenylprop-2-enyl)-9-(4-fluorophenyl)-1-methyl-1,3,5-trihydro-6H,7H, 8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione, 3-[(E)-cinnamyl]-9-(4-fluorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone
Technical Specifications
| Molecular Formula | C24H22FN5O2 |
| Molecular Weight | 431.17575 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.17575 Da |
| Heavy Atoms | 32 |
| Complexity | 734.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C/C=C/C3=CC=CC=C3)N4CCCN(C4=N2)C5=CC=C(C=C5)F |
| InChIKey | ODGXFNPPUQUINE-WEVVVXLNSA-N |
Chemical Property Profile of AB00395936-06
Property Insights of AB00395936-06
The XLogP value of 3.9 indicates that AB00395936-06 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00395936-06. Following Lipinski's Rule of Five, AB00395936-06 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00395936-06?
The CAS number of AB00395936-06 is 1164456-52-3.
What is the molecular formula of AB00395936-06?
The molecular formula of AB00395936-06 is C24H22FN5O2.
What is the molecular weight of AB00395936-06?
The molecular weight of AB00395936-06 is 431.17575 g/mol.
Where can I buy AB00395936-06?
You can request a quote for AB00395936-06 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00395936-06?
Yes, CoreyChem provides custom synthesis services for AB00395936-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.