ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
TL;DR: ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CAS 145071-31-4) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Also Known As: Ethyl (E)-3,6-dihydro-5-((2-propynyloxyimino)methyl)-1(2H)-pyridinecarboxylate, 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((2-propynyloxyimino)methyl)-, ethyl ester, (E)-
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.4106 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 355.25247 |
Chemical Identifiers
| CAS Number | 145071-31-4 |
|---|---|
| SMILES | CCOC(=O)N1CCC=C(C1)C=NOCC#C |
Product Overview
ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CAS 145071-31-4), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
Chemical Property Profile of ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Property Insights of ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
The XLogP value of 1.4106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate. With a topological polar surface area (TPSA) of 51.13 Ų, ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate 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 ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The CAS number of ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is 145071-31-4.
What is the molecular formula of ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The molecular formula of ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is C12H16N2O3.
What is the molecular weight of ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The molecular weight of ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is 236.12 g/mol.
Where can I buy ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
You can request a quote for ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(prop-2-ynoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.