![3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde structure](/static/products/6922/692275-07-3.webp)
3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde
TL;DR: 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde (CAS 692275-07-3) is a chemical compound with molecular formula C21H17ClN4O4 and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde
Also Known As: 3-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde, 3-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzaldehyde, 3-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]oxybenzaldehyde, 3-({7-[(2-CHLOROPHENYL)METHYL]-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}OXY)BENZALDEHYDE
| Molecular Formula | C21H17ClN4O4 |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 2.7402 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.09384 |
| Heavy Atoms | 30 |
| Complexity | 1400.6366 |
Chemical Identifiers
| CAS Number | 692275-07-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C=O)CC4=CC=CC=C4Cl |
Product Overview
3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde (CAS 692275-07-3), with molecular formula C21H17ClN4O4 and molecular weight 424.09 g/mol. IUPAC: 3-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde.
Chemical Property Profile of 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde
Property Insights of 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde
The XLogP value of 2.7402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde. Following Lipinski's Rule of Five, 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde 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 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde?
The CAS number of 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde is 692275-07-3.
What is the molecular formula of 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde?
The molecular formula of 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde is C21H17ClN4O4.
What is the molecular weight of 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde?
The molecular weight of 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde is 424.09 g/mol.
Where can I buy 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde?
You can request a quote for 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.