RefChem:1068612
TL;DR: RefChem:1068612 (CAS 145071-63-2) is a chemical compound with molecular formula C16H16ClN3O3 and molecular weight 333.088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-[(E)-prop-2-ynoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-(4-chlorophenyl)carbamate
Also Known As: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((4-chlorophenyl)amino)carbonyl)oxy)-, O-2-propynyloxime, (E)-, 1-[(4-Chlorophenyl)carbamoyl]oxy-1,2,5,6-tetrahydropyridine-3-carbaldehyde O-(2-propynyl)oxime, 5-{[(prop-2-yn-1-yloxy)imino]methyl}-1,2,3,6-tetrahydropyridin-1-yl N-(4-chlorophenyl)carbamate, BRN 5829814
Technical Specifications
| Molecular Formula | C16H16ClN3O3 |
| Molecular Weight | 333.088 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.088 Da |
| Heavy Atoms | 23 |
| Complexity | 504.0 |
| SMILES | C#CCO/N=C/C1=CCCN(C1)OC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | VWFLYEBUYPPRGE-WOJGMQOQSA-N |
Chemical Property Profile of RefChem:1068612
Property Insights of RefChem:1068612
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068612. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068612. Following Lipinski's Rule of Five, RefChem:1068612 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1068612?
The CAS number of RefChem:1068612 is 145071-63-2.
What is the molecular formula of RefChem:1068612?
The molecular formula of RefChem:1068612 is C16H16ClN3O3.
What is the molecular weight of RefChem:1068612?
The molecular weight of RefChem:1068612 is 333.088 g/mol.
Where can I buy RefChem:1068612?
You can request a quote for RefChem:1068612 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068612?
Yes, CoreyChem provides custom synthesis services for RefChem:1068612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.