AB00775113-01
TL;DR: AB00775113-01 (CAS 872839-25-3) is a chemical compound with molecular formula C23H20FN5O2 and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-4-methyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: AB00775113-01, E461-0385, F2000-0382, 8-(4-fluorophenyl)-1-methyl-3-[(2E)-3-phenylprop-2-en-1-yl]-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 3-((2E)-3-phenylprop-2-enyl)-8-(4-fluorophenyl)-1-methyl-1,3,5-trihydroimidazo lidino[1,2-h]purine-2,4-dione
| Molecular Formula | C23H20FN5O2 |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 2.9009 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.1601 |
| Heavy Atoms | 31 |
| Complexity | 1415.117 |
Chemical Identifiers
| CAS Number | 872839-25-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C/C=C/C3=CC=CC=C3)N4CCN(C4=N2)C5=CC=C(C=C5)F |
Product Overview
AB00775113-01 (CAS 872839-25-3), with molecular formula C23H20FN5O2 and molecular weight 417.16 g/mol. IUPAC: 6-(4-fluorophenyl)-4-methyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of AB00775113-01
Property Insights of AB00775113-01
The XLogP value of 2.9009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00775113-01. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00775113-01. Following Lipinski's Rule of Five, AB00775113-01 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 AB00775113-01?
The CAS number of AB00775113-01 is 872839-25-3.
What is the molecular formula of AB00775113-01?
The molecular formula of AB00775113-01 is C23H20FN5O2.
What is the molecular weight of AB00775113-01?
The molecular weight of AB00775113-01 is 417.16 g/mol.
Where can I buy AB00775113-01?
You can request a quote for AB00775113-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00775113-01?
Yes, KEHONG BIO provides custom synthesis services for AB00775113-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.