A3980/0169507
TL;DR: A3980/0169507 (CAS 326014-17-9) is a chemical compound with molecular formula C23H18F3N5O2 and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-7-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
Also Known As: A3980/0169507, 1,3-DIMETHYL-7-(4-METHYLPHENYL)-8-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE, 1,3-dimethyl-7-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 1,3-dimethyl-7-(p-tolyl)-8-(3-(trifluoromethyl)phenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 2,4-dimethyl-7-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C23H18F3N5O2 |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 3.66982 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.14127 |
| Heavy Atoms | 33 |
| Complexity | 1667.8674 |
Chemical Identifiers
| CAS Number | 326014-17-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=CC(=C5)C(F)(F)F)N(C(=O)N(C4=O)C)C |
Product Overview
A3980/0169507 (CAS 326014-17-9), with molecular formula C23H18F3N5O2 and molecular weight 453.14 g/mol. IUPAC: 2,4-dimethyl-7-(4-methylphenyl)-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A3980/0169507
Property Insights of A3980/0169507
The XLogP value of 3.66982 indicates that A3980/0169507 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A3980/0169507. Following Lipinski's Rule of Five, A3980/0169507 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 A3980/0169507?
The CAS number of A3980/0169507 is 326014-17-9.
What is the molecular formula of A3980/0169507?
The molecular formula of A3980/0169507 is C23H18F3N5O2.
What is the molecular weight of A3980/0169507?
The molecular weight of A3980/0169507 is 453.14 g/mol.
Where can I buy A3980/0169507?
You can request a quote for A3980/0169507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3980/0169507?
Yes, KEHONG BIO provides custom synthesis services for A3980/0169507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.