RefChem:1068612
TL;DR: RefChem:1068612 (CAS 145071-63-2) is a chemical compound with molecular formula C16H16ClN3O3 and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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, RefChem:1068612, BRN 5829814
| Molecular Formula | C16H16ClN3O3 |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 3.0712 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.088 |
| Heavy Atoms | 23 |
| Complexity | 634.9657 |
Chemical Identifiers
| CAS Number | 145071-63-2 |
|---|---|
| SMILES | C#CCO/N=C/C1=CCCN(C1)OC(=O)NC2=CC=C(C=C2)Cl |
Product Overview
RefChem:1068612 (CAS 145071-63-2), with molecular formula C16H16ClN3O3 and molecular weight 333.09 g/mol. IUPAC: [5-[(E)-prop-2-ynoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-(4-chlorophenyl)carbamate.
Chemical Property Profile of RefChem:1068612
Property Insights of RefChem:1068612
The XLogP value of 3.0712 indicates that RefChem:1068612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 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
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 333.09 g/mol.
Where can I buy RefChem:1068612?
You can request a quote for RefChem:1068612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068612?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.