AB00772631-01
TL;DR: AB00772631-01 (CAS 893960-71-9) is a chemical compound with molecular formula C25H25N5O4 and molecular weight 459.19 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-(2-phenylethyl)-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate
Also Known As: AB00772631-01, ethyl 4-[1-methyl-2,4-dioxo-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate, ethyl 4-(4-methyl-1,3-dioxo-2-phenethyl-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate, ethyl 4-(1-methyl-2,4-dioxo-3-phenethyl-3,4,6,7-tetrahydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzoate, ethyl 4-[1-methyl-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate
| Molecular Formula | C25H25N5O4 |
|---|---|
| Molecular Weight | 459.19 g/mol |
| LogP | 2.4678 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.19064 |
| Heavy Atoms | 34 |
| Complexity | 1482.5073 |
Chemical Identifiers
| CAS Number | 893960-71-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5 |
Product Overview
AB00772631-01 (CAS 893960-71-9), with molecular formula C25H25N5O4 and molecular weight 459.19 g/mol. IUPAC: ethyl 4-[4-methyl-1,3-dioxo-2-(2-phenylethyl)-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate.
Chemical Property Profile of AB00772631-01
Property Insights of AB00772631-01
The XLogP value of 2.4678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00772631-01. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772631-01. Following Lipinski's Rule of Five, AB00772631-01 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 AB00772631-01?
The CAS number of AB00772631-01 is 893960-71-9.
What is the molecular formula of AB00772631-01?
The molecular formula of AB00772631-01 is C25H25N5O4.
What is the molecular weight of AB00772631-01?
The molecular weight of AB00772631-01 is 459.19 g/mol.
Where can I buy AB00772631-01?
You can request a quote for AB00772631-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772631-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772631-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.