RefChem:1064517
TL;DR: RefChem:1064517 (CAS 113597-40-3) is a chemical compound with molecular formula C11H14N6O7 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-[(2E)-2-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinyl]-2-nitroprop-2-enoate
Also Known As: 2-Propenoic acid, 2-nitro-3-((tetrahydro-1,3-dimethyl-2,6-dioxo-5-nitroso-4(1H)-pyrimidinylidene)hydrazino)-, ethyl ester, 2-Propenoicacid,2-nitro-3-[(tetrahydro-1,3-dimethyl-5-nitroso-2,6-dioxo-4(1H)-pyrimidinylidene)hydrazino]-,ethyl ester (9CI), ethyl 3-[2-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinyl]-2-nitroprop-2-enoate, RefChem:1064517
| Molecular Formula | C11H14N6O7 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | -0.7705 |
| Topological Polar Surface Area | 163.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.0924 |
| Heavy Atoms | 24 |
| Complexity | 642.7737 |
Chemical Identifiers
| CAS Number | 113597-40-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C/N/N=C/1\C(C(=O)N(C(=O)N1C)C)N=O)/[N+](=O)[O-] |
Product Overview
RefChem:1064517 (CAS 113597-40-3), with molecular formula C11H14N6O7 and molecular weight 342.09 g/mol. IUPAC: ethyl (Z)-3-[(2E)-2-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinyl]-2-nitroprop-2-enoate.
Chemical Property Profile of RefChem:1064517
Property Insights of RefChem:1064517
The XLogP value of -0.7705 indicates that RefChem:1064517 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.88 Ų indicates high polarity, suggesting RefChem:1064517 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1064517 has 1 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:1064517?
The CAS number of RefChem:1064517 is 113597-40-3.
What is the molecular formula of RefChem:1064517?
The molecular formula of RefChem:1064517 is C11H14N6O7.
What is the molecular weight of RefChem:1064517?
The molecular weight of RefChem:1064517 is 342.09 g/mol.
Where can I buy RefChem:1064517?
You can request a quote for RefChem:1064517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064517?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.