AB00772639-01
TL;DR: AB00772639-01 (CAS 893949-59-2) is a chemical compound with molecular formula C22H20FN5O3 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methyl]-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: AB00772639-01, 2-[(4-fluorophenyl)methyl]-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 3-(4-fluorobenzyl)-8-(3-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione, 3-[(4-fluorophenyl)methyl]-8-(3-methoxyphenyl)-1-methyl-1,3,5-trihydroimidazol idino[1,2-h]purine-2,4-dione, 3-[(4-fluorophenyl)methyl]-8-(3-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C22H20FN5O3 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 2.2444 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.15503 |
| Heavy Atoms | 31 |
| Complexity | 1418.3435 |
Chemical Identifiers
| CAS Number | 893949-59-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)F)N4CCN(C4=N2)C5=CC(=CC=C5)OC |
Product Overview
AB00772639-01 (CAS 893949-59-2), with molecular formula C22H20FN5O3 and molecular weight 421.16 g/mol. IUPAC: 2-[(4-fluorophenyl)methyl]-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of AB00772639-01
Property Insights of AB00772639-01
The XLogP value of 2.2444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00772639-01. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772639-01. Following Lipinski's Rule of Five, AB00772639-01 has 0 hydrogen bond donor(s) and 5 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 AB00772639-01?
The CAS number of AB00772639-01 is 893949-59-2.
What is the molecular formula of AB00772639-01?
The molecular formula of AB00772639-01 is C22H20FN5O3.
What is the molecular weight of AB00772639-01?
The molecular weight of AB00772639-01 is 421.16 g/mol.
Where can I buy AB00772639-01?
You can request a quote for AB00772639-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772639-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772639-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.