AB00772870-01
TL;DR: AB00772870-01 (CAS 872840-52-3) is a chemical compound with molecular formula C23H21ClFN5O2 and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-ethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: AB00772870-01, E461-0602, 3-[(2-chloro-6-fluorophenyl)methyl]-8-(4-ethylphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-ethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 3-[(2-chloro-6-fluorophenyl)methyl]-8-(4-ethylphenyl)-1-methyl-1,3,5-trihydroi midazolidino[1,2-h]purine-2,4-dione
| Molecular Formula | C23H21ClFN5O2 |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 3.4516 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.13678 |
| Heavy Atoms | 32 |
| Complexity | 1449.0015 |
Chemical Identifiers
| CAS Number | 872840-52-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=C(C=CC=C5Cl)F |
Product Overview
AB00772870-01 (CAS 872840-52-3), with molecular formula C23H21ClFN5O2 and molecular weight 453.14 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-ethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of AB00772870-01
Property Insights of AB00772870-01
The XLogP value of 3.4516 indicates that AB00772870-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772870-01. Following Lipinski's Rule of Five, AB00772870-01 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 AB00772870-01?
The CAS number of AB00772870-01 is 872840-52-3.
What is the molecular formula of AB00772870-01?
The molecular formula of AB00772870-01 is C23H21ClFN5O2.
What is the molecular weight of AB00772870-01?
The molecular weight of AB00772870-01 is 453.14 g/mol.
Where can I buy AB00772870-01?
You can request a quote for AB00772870-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772870-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772870-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.