AN-512/13208077
TL;DR: AN-512/13208077 (CAS 353763-11-8) is a chemical compound with molecular formula C22H19F3N4O4 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-methoxyphenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Also Known As: AN-512/13208077, 8-(3-methoxyphenoxy)-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione, 8-(3-methoxyphenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione, 8-(3-methoxyphenoxy)-1,3-dimethyl-7-(3-(trifluoromethyl)benzyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H19F3N4O4 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 3.3017 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.13583 |
| Heavy Atoms | 33 |
| Complexity | 1467.5006 |
Chemical Identifiers
| CAS Number | 353763-11-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)OC)CC4=CC(=CC=C4)C(F)(F)F |
Product Overview
AN-512/13208077 (CAS 353763-11-8), with molecular formula C22H19F3N4O4 and molecular weight 460.14 g/mol. IUPAC: 8-(3-methoxyphenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione.
Chemical Property Profile of AN-512/13208077
Property Insights of AN-512/13208077
The XLogP value of 3.3017 indicates that AN-512/13208077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/13208077. Following Lipinski's Rule of Five, AN-512/13208077 has 0 hydrogen bond donor(s) and 5 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 AN-512/13208077?
The CAS number of AN-512/13208077 is 353763-11-8.
What is the molecular formula of AN-512/13208077?
The molecular formula of AN-512/13208077 is C22H19F3N4O4.
What is the molecular weight of AN-512/13208077?
The molecular weight of AN-512/13208077 is 460.14 g/mol.
Where can I buy AN-512/13208077?
You can request a quote for AN-512/13208077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/13208077?
Yes, KEHONG BIO provides custom synthesis services for AN-512/13208077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.