A3698/0156873
TL;DR: A3698/0156873 (CAS 704876-63-1) is a chemical compound with molecular formula C22H18FN5O3 and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A3698/0156873, 6-(4-fluorophenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-(4-fluorophenyl)-7-(3-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(4-FLUOROPHENYL)-7-(3-METHOXYPHENYL)-1,3-DIMETHYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C22H18FN5O3 |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 2.4903 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.13937 |
| Heavy Atoms | 31 |
| Complexity | 1588.5463 |
Chemical Identifiers
| CAS Number | 704876-63-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)F)C5=CC(=CC=C5)OC |
Product Overview
A3698/0156873 (CAS 704876-63-1), with molecular formula C22H18FN5O3 and molecular weight 419.14 g/mol. IUPAC: 6-(4-fluorophenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A3698/0156873
Property Insights of A3698/0156873
The XLogP value of 2.4903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3698/0156873. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for A3698/0156873. Following Lipinski's Rule of Five, A3698/0156873 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 A3698/0156873?
The CAS number of A3698/0156873 is 704876-63-1.
What is the molecular formula of A3698/0156873?
The molecular formula of A3698/0156873 is C22H18FN5O3.
What is the molecular weight of A3698/0156873?
The molecular weight of A3698/0156873 is 419.14 g/mol.
Where can I buy A3698/0156873?
You can request a quote for A3698/0156873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3698/0156873?
Yes, KEHONG BIO provides custom synthesis services for A3698/0156873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.