A2777/0117549
TL;DR: A2777/0117549 (CAS 370576-68-4) is a chemical compound with molecular formula C22H18FN5O2 and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-7-(4-fluorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A2777/0117549, 8-benzyl-7-(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-benzyl-7-(4-fluorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione, 7-(4-fluorophenyl)-1,3-dimethyl-8-benzyl-1,3,5-trihydro-4-imidazolino[1,2-h]pu rine-2,4-dione, 8-BENZYL-7-(4-FLUOROPHENYL)-1,3-DIMETHYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C22H18FN5O2 |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 2.5408 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.14444 |
| Heavy Atoms | 30 |
| Complexity | 1522.3896 |
Chemical Identifiers
| CAS Number | 370576-68-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)F |
Product Overview
A2777/0117549 (CAS 370576-68-4), with molecular formula C22H18FN5O2 and molecular weight 403.14 g/mol. IUPAC: 6-benzyl-7-(4-fluorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A2777/0117549
Property Insights of A2777/0117549
The XLogP value of 2.5408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2777/0117549. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A2777/0117549. Following Lipinski's Rule of Five, A2777/0117549 has 0 hydrogen bond donor(s) and 3 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 A2777/0117549?
The CAS number of A2777/0117549 is 370576-68-4.
What is the molecular formula of A2777/0117549?
The molecular formula of A2777/0117549 is C22H18FN5O2.
What is the molecular weight of A2777/0117549?
The molecular weight of A2777/0117549 is 403.14 g/mol.
Where can I buy A2777/0117549?
You can request a quote for A2777/0117549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2777/0117549?
Yes, KEHONG BIO provides custom synthesis services for A2777/0117549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.