Isopropyl N-cyano-4-pyridinecarboximidate
TL;DR: Isopropyl N-cyano-4-pyridinecarboximidate (CAS 133300-47-7) is a chemical compound with molecular formula C10H11N3O and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-cyanopyridine-4-carboximidate
Also Known As: Isopropyl N-cyano-4-pyridinecarboximidate, Isopropyl N cyano-4-pyridinecarboximidate, (propan-2-yloxy-pyridin-4-yl-methylidene)cyanamide
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 1.73428 |
| Topological Polar Surface Area | 58.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 351.3799 |
Chemical Identifiers
| CAS Number | 133300-47-7 |
|---|---|
| SMILES | CC(C)OC(=NC#N)C1=CC=NC=C1 |
Product Overview
Isopropyl N-cyano-4-pyridinecarboximidate (CAS 133300-47-7), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: propan-2-yl N-cyanopyridine-4-carboximidate.
Chemical Property Profile of Isopropyl N-cyano-4-pyridinecarboximidate
Property Insights of Isopropyl N-cyano-4-pyridinecarboximidate
The XLogP value of 1.73428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl N-cyano-4-pyridinecarboximidate. With a topological polar surface area (TPSA) of 58.27 Ų, Isopropyl N-cyano-4-pyridinecarboximidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl N-cyano-4-pyridinecarboximidate has 0 hydrogen bond donor(s) and 4 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 Isopropyl N-cyano-4-pyridinecarboximidate?
The CAS number of Isopropyl N-cyano-4-pyridinecarboximidate is 133300-47-7.
What is the molecular formula of Isopropyl N-cyano-4-pyridinecarboximidate?
The molecular formula of Isopropyl N-cyano-4-pyridinecarboximidate is C10H11N3O.
What is the molecular weight of Isopropyl N-cyano-4-pyridinecarboximidate?
The molecular weight of Isopropyl N-cyano-4-pyridinecarboximidate is 189.09 g/mol.
Where can I buy Isopropyl N-cyano-4-pyridinecarboximidate?
You can request a quote for Isopropyl N-cyano-4-pyridinecarboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl N-cyano-4-pyridinecarboximidate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl N-cyano-4-pyridinecarboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.