RefChem:1063184
TL;DR: RefChem:1063184 (CAS 78960-64-2) is a chemical compound with molecular formula C23H23N7O7 and molecular weight 509.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-phenoxypropyl)-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-, (1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydropurin-8-yl)hydrazone, 5-Nitro-2-furanacrylaldehyde [1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydro-7H-purin-8-yl]hydrazone, 7-(2-hydroxy-3-phenoxypropyl)-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, 7-[2-hydroxy-3-(phenoxy)propyl]-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione, RefChem:1063184
| Molecular Formula | C23H23N7O7 |
|---|---|
| Molecular Weight | 509.17 g/mol |
| LogP | 1.4859 |
| Topological Polar Surface Area | 171.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 509.1659 |
| Heavy Atoms | 37 |
| Complexity | 1595.3851 |
Chemical Identifiers
| CAS Number | 78960-64-2 |
|---|---|
| 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(COC4=CC=CC=C4)O |
Product Overview
RefChem:1063184 (CAS 78960-64-2), with molecular formula C23H23N7O7 and molecular weight 509.17 g/mol. IUPAC: 7-(2-hydroxy-3-phenoxypropyl)-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:1063184
Property Insights of RefChem:1063184
The XLogP value of 1.4859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1063184. The TPSA of 171.95 Ų indicates high polarity, suggesting RefChem:1063184 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063184 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1063184?
The CAS number of RefChem:1063184 is 78960-64-2.
What is the molecular formula of RefChem:1063184?
The molecular formula of RefChem:1063184 is C23H23N7O7.
What is the molecular weight of RefChem:1063184?
The molecular weight of RefChem:1063184 is 509.17 g/mol.
Where can I buy RefChem:1063184?
You can request a quote for RefChem:1063184 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063184?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063184 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.