8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione (CAS 372184-47-9) is a chemical compound with molecular formula C23H20ClN7O5 and molecular weight 509.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
Also Known As: 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione, 8-[2-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
| Molecular Formula | C23H20ClN7O5 |
|---|---|
| Molecular Weight | 509.12 g/mol |
| LogP | 3.0881 |
| Topological Polar Surface Area | 149.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.12143 |
| Heavy Atoms | 36 |
| Complexity | 1570.9384 |
Chemical Identifiers
| CAS Number | 372184-47-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])Cl)CCOC4=CC=CC=C4 |
Product Overview
8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione (CAS 372184-47-9), with molecular formula C23H20ClN7O5 and molecular weight 509.12 g/mol. IUPAC: 8-[2-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione.
Chemical Property Profile of 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.0881 indicates that 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.44 Ų indicates high polarity, suggesting 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione is 372184-47-9.
What is the molecular formula of 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione is C23H20ClN7O5.
What is the molecular weight of 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione is 509.12 g/mol.
Where can I buy 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-(2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.