![3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione structure](/static/products/877/877789-08-7.png)
3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
TL;DR: 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 877789-08-7) is a chemical compound with molecular formula C29H26ClN5O3 and molecular weight 527.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-[(2-chlorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-[(2-chlorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-[(2-chlorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-1,3,5-trihydro-6H, 7H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C29H26ClN5O3 |
|---|---|
| Molecular Weight | 527.17 g/mol |
| LogP | 5.1785 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.1724 |
| Heavy Atoms | 38 |
| Complexity | 1756.1129 |
Chemical Identifiers
| CAS Number | 877789-08-7 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl)C5=CC=C(C=C5)OC6=CC=CC=C6 |
Product Overview
3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 877789-08-7), with molecular formula C29H26ClN5O3 and molecular weight 527.17 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Property Insights of 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
The XLogP value of 5.1785 indicates that 3-(2-chlorobenzyl)-1,7-dimethyl-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-chlorobenzyl)-1,7-dimethyl-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-chlorobenzyl)-1,7-dimethyl-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-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The CAS number of 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 877789-08-7.
What is the molecular formula of 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular formula of 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is C29H26ClN5O3.
What is the molecular weight of 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular weight of 3-(2-chlorobenzyl)-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 527.17 g/mol.
Where can I buy 3-(2-chlorobenzyl)-1,7-dimethyl-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-chlorobenzyl)-1,7-dimethyl-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-chlorobenzyl)-1,7-dimethyl-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-chlorobenzyl)-1,7-dimethyl-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.