3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine
TL;DR: 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine (CAS 66886-77-9) is a chemical compound with molecular formula C11H13N5O8 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-nitrooxyethylcarbamoyl)pyridine-3-carbonyl]amino]ethyl nitrate
Also Known As: SG 114, 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine, 3,5-Pyridinedicarboxamide, N,N'-bis(2-(nitrooxy)ethyl)-, 2-[[5-(2-nitrooxyethylcarbamoyl)pyridine-3-carbonyl]amino]ethyl nitrate, {[(Pyridine-3,5-diyl)bis(carbonyl)azanediyl]ethane-2,1-diyl} dinitrate
| Molecular Formula | C11H13N5O8 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.07642 |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 66886-77-9 |
|---|---|
| SMILES | C1=C(C=NC=C1C(=O)NCCO[N+](=O)[O-])C(=O)NCCO[N+](=O)[O-] |
| InChIKey | JWTQEZXCSSIKNP-UHFFFAOYSA-N |
Product Overview
3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine (CAS 66886-77-9), with molecular formula C11H13N5O8 and molecular weight 343.08 g/mol. IUPAC: 2-[[5-(2-nitrooxyethylcarbamoyl)pyridine-3-carbonyl]amino]ethyl nitrate.
Chemical Property Profile of 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine
Property Insights of 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine
The XLogP value of -0.1 indicates that 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine has 2 hydrogen bond donor(s) and 9 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 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine?
The CAS number of 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine is 66886-77-9.
What is the molecular formula of 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine?
The molecular formula of 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine is C11H13N5O8.
What is the molecular weight of 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine?
The molecular weight of 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine is 343.08 g/mol.
Where can I buy 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine?
You can request a quote for 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis((2'-nitroxyethyl)aminocarbonyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.