RefChem:1063185
TL;DR: RefChem:1063185 (CAS 78960-59-5) is a chemical compound with molecular formula C17H19N7O7 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione
Also Known As: 2-Furanacrolein, 5-nitro-, (7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-8-yl)hydrazone, 5-Nitro-2-furanacrylaldehyde [7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-8-yl]hydrazone, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-{2-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazin-1-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, RefChem:1063185
| Molecular Formula | C17H19N7O7 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | -0.6008 |
| Topological Polar Surface Area | 182.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.13458 |
| Heavy Atoms | 31 |
| Complexity | 1294.612 |
Chemical Identifiers
| CAS Number | 78960-59-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C=C/C3=CC=C(O3)[N+](=O)[O-])CC(CO)O |
Product Overview
RefChem:1063185 (CAS 78960-59-5), with molecular formula C17H19N7O7 and molecular weight 433.13 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of RefChem:1063185
Property Insights of RefChem:1063185
The XLogP value of -0.6008 indicates that RefChem:1063185 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.95 Ų indicates high polarity, suggesting RefChem:1063185 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063185 has 3 hydrogen bond donor(s) and 10 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 RefChem:1063185?
The CAS number of RefChem:1063185 is 78960-59-5.
What is the molecular formula of RefChem:1063185?
The molecular formula of RefChem:1063185 is C17H19N7O7.
What is the molecular weight of RefChem:1063185?
The molecular weight of RefChem:1063185 is 433.13 g/mol.
Where can I buy RefChem:1063185?
You can request a quote for RefChem:1063185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063185?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.