AB00772637-01
TL;DR: AB00772637-01 (CAS 893979-92-5) is a chemical compound with molecular formula C21H17ClFN5O2 and molecular weight 425.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: AB00772637-01, 8-(3-chlorophenyl)-3-(4-fluorobenzyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione, 8-(3-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 8-(3-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-methyl-1,3,5-trihydroimidazoli dino[1,2-h]purine-2,4-dione
| Molecular Formula | C21H17ClFN5O2 |
|---|---|
| Molecular Weight | 425.11 g/mol |
| LogP | 2.8892 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.10547 |
| Heavy Atoms | 30 |
| Complexity | 1404.1721 |
Chemical Identifiers
| CAS Number | 893979-92-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)F)N4CCN(C4=N2)C5=CC(=CC=C5)Cl |
Product Overview
AB00772637-01 (CAS 893979-92-5), with molecular formula C21H17ClFN5O2 and molecular weight 425.11 g/mol. IUPAC: 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of AB00772637-01
Property Insights of AB00772637-01
The XLogP value of 2.8892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00772637-01. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772637-01. Following Lipinski's Rule of Five, AB00772637-01 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 AB00772637-01?
The CAS number of AB00772637-01 is 893979-92-5.
What is the molecular formula of AB00772637-01?
The molecular formula of AB00772637-01 is C21H17ClFN5O2.
What is the molecular weight of AB00772637-01?
The molecular weight of AB00772637-01 is 425.11 g/mol.
Where can I buy AB00772637-01?
You can request a quote for AB00772637-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772637-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772637-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.