A3693/0156710
TL;DR: A3693/0156710 (CAS 704875-00-3) is a chemical compound with molecular formula C21H16F4N4O3 and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-fluorophenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Also Known As: A3693/0156710, 8-(2-fluorophenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione, 8-(2-fluorophenoxy)-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione, 8-(2-FLUOROPHENOXY)-1,3-DIMETHYL-7-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C21H16F4N4O3 |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 3.4322 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.11584 |
| Heavy Atoms | 32 |
| Complexity | 1450.4303 |
Chemical Identifiers
| CAS Number | 704875-00-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3F)CC4=CC(=CC=C4)C(F)(F)F |
Product Overview
A3693/0156710 (CAS 704875-00-3), with molecular formula C21H16F4N4O3 and molecular weight 448.12 g/mol. IUPAC: 8-(2-fluorophenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione.
Chemical Property Profile of A3693/0156710
Property Insights of A3693/0156710
The XLogP value of 3.4322 indicates that A3693/0156710 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A3693/0156710. Following Lipinski's Rule of Five, A3693/0156710 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 A3693/0156710?
The CAS number of A3693/0156710 is 704875-00-3.
What is the molecular formula of A3693/0156710?
The molecular formula of A3693/0156710 is C21H16F4N4O3.
What is the molecular weight of A3693/0156710?
The molecular weight of A3693/0156710 is 448.12 g/mol.
Where can I buy A3693/0156710?
You can request a quote for A3693/0156710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3693/0156710?
Yes, KEHONG BIO provides custom synthesis services for A3693/0156710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.