![1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione structure](/static/products/3700/370075-45-9.webp)
1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
TL;DR: 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione (CAS 370075-45-9) is a chemical compound with molecular formula C20H18FN5O3 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
Also Known As: AN-512/12595116, 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione, 1-(4-Fluoro-benzyl)-3,7-dimethyl-8-(pyridin-3-ylmethoxy)-3,7-dihydro-purine-2,6-dione, 1-(4-fluorobenzyl)-3,7-dimethyl-8-(3-pyridinylmethoxy)-3,7-dihydro-1H-purine-2,6-dione, 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyridin-3-ylmethoxy)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H18FN5O3 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 1.5951 |
| Topological Polar Surface Area | 83.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.13937 |
| Heavy Atoms | 29 |
| Complexity | 1290.4338 |
Chemical Identifiers
| CAS Number | 370075-45-9 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C |
Product Overview
1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione (CAS 370075-45-9), with molecular formula C20H18FN5O3 and molecular weight 395.14 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione.
Chemical Property Profile of 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
Property Insights of 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
The XLogP value of 1.5951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione. The TPSA of 83.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione. Following Lipinski's Rule of Five, 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione 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 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione?
The CAS number of 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione is 370075-45-9.
What is the molecular formula of 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione?
The molecular formula of 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione is C20H18FN5O3.
What is the molecular weight of 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione?
The molecular weight of 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione is 395.14 g/mol.
Where can I buy 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione?
You can request a quote for 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.