A3980/0169506
TL;DR: A3980/0169506 (CAS 847367-15-1) 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-(4-fluorophenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: A3980/0169506, 6-(4-fluorophenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione, 8-(4-fluorophenyl)-1,3-dimethyl-7-(p-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(4-FLUOROPHENYL)-1,3-DIMETHYL-7-(4-METHYLPHENYL)-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE, 8-(4-fluorophenyl)-1,3-dimethyl-7-(4-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C22H18FN5O2 |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 2.79012 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.14444 |
| Heavy Atoms | 30 |
| Complexity | 1550.9727 |
Chemical Identifiers
| CAS Number | 847367-15-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=C(C=C5)F)N(C(=O)N(C4=O)C)C |
Product Overview
A3980/0169506 (CAS 847367-15-1), with molecular formula C22H18FN5O2 and molecular weight 403.14 g/mol. IUPAC: 6-(4-fluorophenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A3980/0169506
Property Insights of A3980/0169506
The XLogP value of 2.79012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3980/0169506. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A3980/0169506. Following Lipinski's Rule of Five, A3980/0169506 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 A3980/0169506?
The CAS number of A3980/0169506 is 847367-15-1.
What is the molecular formula of A3980/0169506?
The molecular formula of A3980/0169506 is C22H18FN5O2.
What is the molecular weight of A3980/0169506?
The molecular weight of A3980/0169506 is 403.14 g/mol.
Where can I buy A3980/0169506?
You can request a quote for A3980/0169506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3980/0169506?
Yes, KEHONG BIO provides custom synthesis services for A3980/0169506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.