N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate
TL;DR: N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate (CAS 134431-49-5) is a chemical compound with molecular formula C10H13N5O6S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl nitrate;methanesulfonic acid
Also Known As: Krn 2391, N-cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate, SID:134222845, 3-Pyridinecarboximidamide, N-cyano-N'-(2-(nitrooxy)ethyl)-, monomethanesulfonate, N-cyano-N/'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate
| Molecular Formula | C10H13N5O6S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | -0.38882 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.05865 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 134431-49-5 |
|---|---|
| SMILES | CS(=O)(=O)O.C1=CC(=CN=C1)C(=NCCO[N+](=O)[O-])NC#N |
| InChIKey | BIBJJSCMCXFMML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate (CAS 134431-49-5), with molecular formula C10H13N5O6S and molecular weight 331.06 g/mol. IUPAC: 2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl nitrate;methanesulfonic acid.
Chemical Property Profile of N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate
Property Insights of N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate
The XLogP value of -0.38882 indicates that N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate 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 N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate?
The CAS number of N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate is 134431-49-5.
What is the molecular formula of N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate?
The molecular formula of N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate is C10H13N5O6S.
What is the molecular weight of N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate?
The molecular weight of N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate is 331.06 g/mol.
Where can I buy N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate?
You can request a quote for N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for N-Cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.