6-Chloro-7-(3-nitrobenzyl)-7h-purine
TL;DR: 6-Chloro-7-(3-nitrobenzyl)-7h-purine (CAS 90417-29-1) is a chemical compound with molecular formula C12H8ClN5O2 and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-7-[(3-nitrophenyl)methyl]purine
Also Known As: 6-chloro-7-(3-nitrobenzyl)-7h-purine, 6-Chloro-7-[(3-nitrophenyl)methyl]-7H-purine, 7-(METHYLSULFANYL)HEPTANENITRILE, 7H-Purine,6-chloro-7-[(3-nitrophenyl)methyl]-, 6-chloro-7-[(3-nitrophenyl)methyl]purine
| Molecular Formula | C12H8ClN5O2 |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.03665 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 90417-29-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2C(=NC=N3)Cl |
| InChIKey | CQCLHLHHHFBXDN-UHFFFAOYSA-N |
Product Overview
6-Chloro-7-(3-nitrobenzyl)-7h-purine (CAS 90417-29-1), with molecular formula C12H8ClN5O2 and molecular weight 289.04 g/mol. IUPAC: 6-chloro-7-[(3-nitrophenyl)methyl]purine.
Chemical Property Profile of 6-Chloro-7-(3-nitrobenzyl)-7h-purine
Property Insights of 6-Chloro-7-(3-nitrobenzyl)-7h-purine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-7-(3-nitrobenzyl)-7h-purine. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-7-(3-nitrobenzyl)-7h-purine. Following Lipinski's Rule of Five, 6-Chloro-7-(3-nitrobenzyl)-7h-purine 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 6-Chloro-7-(3-nitrobenzyl)-7h-purine?
The CAS number of 6-Chloro-7-(3-nitrobenzyl)-7h-purine is 90417-29-1.
What is the molecular formula of 6-Chloro-7-(3-nitrobenzyl)-7h-purine?
The molecular formula of 6-Chloro-7-(3-nitrobenzyl)-7h-purine is C12H8ClN5O2.
What is the molecular weight of 6-Chloro-7-(3-nitrobenzyl)-7h-purine?
The molecular weight of 6-Chloro-7-(3-nitrobenzyl)-7h-purine is 289.04 g/mol.
Where can I buy 6-Chloro-7-(3-nitrobenzyl)-7h-purine?
You can request a quote for 6-Chloro-7-(3-nitrobenzyl)-7h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-7-(3-nitrobenzyl)-7h-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-7-(3-nitrobenzyl)-7h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.