AB00772648-01
TL;DR: AB00772648-01 (CAS 893962-04-4) is a chemical compound with molecular formula C26H25N5O4 and molecular weight 471.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-methyl-1,3-dioxo-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate
Also Known As: AB00772648-01, ethyl 4-[3-((2E)-3-phenylprop-2-enyl)-1-methyl-2,4-dioxo-1,3,5-trihydroimidazo lidino[1,2-h]purin-8-yl]benzoate, ethyl 4-[4-methyl-1,3-dioxo-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate, ethyl 4-{1-methyl-2,4-dioxo-3-[(2E)-3-phenylprop-2-en-1-yl]-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl}benzoate, (E)-ethyl 4-(3-cinnamyl-1-methyl-2,4-dioxo-3,4,6,7-tetrahydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzoate
| Molecular Formula | C26H25N5O4 |
|---|---|
| Molecular Weight | 471.19 g/mol |
| LogP | 2.9385 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.19064 |
| Heavy Atoms | 35 |
| Complexity | 1545.398 |
Chemical Identifiers
| CAS Number | 893962-04-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)C/C=C/C5=CC=CC=C5 |
Product Overview
AB00772648-01 (CAS 893962-04-4), with molecular formula C26H25N5O4 and molecular weight 471.19 g/mol. IUPAC: ethyl 4-[4-methyl-1,3-dioxo-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate.
Chemical Property Profile of AB00772648-01
Property Insights of AB00772648-01
The XLogP value of 2.9385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00772648-01. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772648-01. Following Lipinski's Rule of Five, AB00772648-01 has 0 hydrogen bond donor(s) and 6 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 AB00772648-01?
The CAS number of AB00772648-01 is 893962-04-4.
What is the molecular formula of AB00772648-01?
The molecular formula of AB00772648-01 is C26H25N5O4.
What is the molecular weight of AB00772648-01?
The molecular weight of AB00772648-01 is 471.19 g/mol.
Where can I buy AB00772648-01?
You can request a quote for AB00772648-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772648-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772648-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.