RefChem:1064504
TL;DR: RefChem:1064504 (CAS 113597-39-0) is a chemical compound with molecular formula C15H13N9O7 and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[(2E)-2-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]prop-2-enamide
Also Known As: 2-Propenoic acid, 2-cyano-3-((tetrahydro-1,3-dimethyl-2,6-dioxo-5-nitroso-4(1H)-pyrimidinylidene)hydrazino)-, ((5-nitro-2-furanyl)methylene)hydrazide, RefChem:1064504
| Molecular Formula | C15H13N9O7 |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | -0.39272 |
| Topological Polar Surface Area | 215.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.09378 |
| Heavy Atoms | 31 |
| Complexity | 1065.1362 |
Chemical Identifiers
| CAS Number | 113597-39-0 |
|---|---|
| SMILES | CN1/C(=N/N/C=C(\C#N)/C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])/C(C(=O)N(C1=O)C)N=O |
Product Overview
RefChem:1064504 (CAS 113597-39-0), with molecular formula C15H13N9O7 and molecular weight 431.09 g/mol. IUPAC: (E)-2-cyano-3-[(2E)-2-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]prop-2-enamide.
Chemical Property Profile of RefChem:1064504
Property Insights of RefChem:1064504
The XLogP value of -0.39272 indicates that RefChem:1064504 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.97 Ų indicates high polarity, suggesting RefChem:1064504 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1064504 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1064504?
The CAS number of RefChem:1064504 is 113597-39-0.
What is the molecular formula of RefChem:1064504?
The molecular formula of RefChem:1064504 is C15H13N9O7.
What is the molecular weight of RefChem:1064504?
The molecular weight of RefChem:1064504 is 431.09 g/mol.
Where can I buy RefChem:1064504?
You can request a quote for RefChem:1064504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064504?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.