Isopropyl 3-pyridinecarboximidate
TL;DR: Isopropyl 3-pyridinecarboximidate (CAS 133300-44-4) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl pyridine-3-carboximidate
Also Known As: isopropyl nicotinimidate, isopropyl 3-pyridinecarboximidate, Propan-2-yloxy-pyridin-3-yl-methanimine
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.83197 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 256.49088 |
Chemical Identifiers
| CAS Number | 133300-44-4 |
|---|---|
| SMILES | CC(C)OC(=N)C1=CN=CC=C1 |
Product Overview
Isopropyl 3-pyridinecarboximidate (CAS 133300-44-4), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: propan-2-yl pyridine-3-carboximidate.
Chemical Property Profile of Isopropyl 3-pyridinecarboximidate
Property Insights of Isopropyl 3-pyridinecarboximidate
The XLogP value of 1.83197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 3-pyridinecarboximidate. With a topological polar surface area (TPSA) of 45.97 Ų, Isopropyl 3-pyridinecarboximidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-pyridinecarboximidate has 1 hydrogen bond donor(s) and 3 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 3-pyridinecarboximidate?
The CAS number of Isopropyl 3-pyridinecarboximidate is 133300-44-4.
What is the molecular formula of Isopropyl 3-pyridinecarboximidate?
The molecular formula of Isopropyl 3-pyridinecarboximidate is C9H12N2O.
What is the molecular weight of Isopropyl 3-pyridinecarboximidate?
The molecular weight of Isopropyl 3-pyridinecarboximidate is 164.09 g/mol.
Where can I buy Isopropyl 3-pyridinecarboximidate?
You can request a quote for Isopropyl 3-pyridinecarboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3-pyridinecarboximidate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-pyridinecarboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.