![3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione structure](/static/products/862/862244-52-8.png)
3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
TL;DR: 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 862244-52-8) is a chemical compound with molecular formula C28H23ClFN5O3 and molecular weight 531.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(4-phenoxyphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-[(6-chloro-2-fluorophenyl)methyl]-1-methyl-9-(4-phenoxyphenyl)-1,3,5-trihydr o-6H,7H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione, C28H23ClFN5O3
| Molecular Formula | C28H23ClFN5O3 |
|---|---|
| Molecular Weight | 531.15 g/mol |
| LogP | 5.0716 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.14734 |
| Heavy Atoms | 38 |
| Complexity | 1757.3523 |
Chemical Identifiers
| CAS Number | 862244-52-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=C(C=CC=C3Cl)F)N4CCCN(C4=N2)C5=CC=C(C=C5)OC6=CC=CC=C6 |
Product Overview
3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 862244-52-8), with molecular formula C28H23ClFN5O3 and molecular weight 531.15 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Property Insights of 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
The XLogP value of 5.0716 indicates that 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The CAS number of 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 862244-52-8.
What is the molecular formula of 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular formula of 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is C28H23ClFN5O3.
What is the molecular weight of 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular weight of 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 531.15 g/mol.
Where can I buy 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
You can request a quote for 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.