RefChem:1051405
TL;DR: RefChem:1051405 (CAS 145071-45-0) is a chemical compound with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 5-[(E)-prop-2-ynoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Also Known As: 4-Chlorophenyl (E)-3,6-dihydro-5-((2-propynyloxyimino)methyl)-1(2H)-pyridinecarboxylate, 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((2-propynyloxyimino)methyl)-, 4-chlorophenyl ester, (E)-, 1,2,5,6-Tetrahydro-3-(2-propynyl)oxyiminomethyl-1-pyridinecarboxylic acid 4-chlorophenyl ester, 4-chlorophenyl 5-{[(prop-2-yn-1-yloxy)imino]methyl}-1,2,3,6-tetrahydropyridine-1-carboxylate, RefChem:1051405
| Molecular Formula | C16H15ClN2O3 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 3.1065 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.07712 |
| Heavy Atoms | 22 |
| Complexity | 617.27325 |
Chemical Identifiers
| CAS Number | 145071-45-0 |
|---|---|
| SMILES | C#CCO/N=C/C1=CCCN(C1)C(=O)OC2=CC=C(C=C2)Cl |
Product Overview
RefChem:1051405 (CAS 145071-45-0), with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol. IUPAC: (4-chlorophenyl) 5-[(E)-prop-2-ynoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
Chemical Property Profile of RefChem:1051405
Property Insights of RefChem:1051405
The XLogP value of 3.1065 indicates that RefChem:1051405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, RefChem:1051405 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1051405 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 RefChem:1051405?
The CAS number of RefChem:1051405 is 145071-45-0.
What is the molecular formula of RefChem:1051405?
The molecular formula of RefChem:1051405 is C16H15ClN2O3.
What is the molecular weight of RefChem:1051405?
The molecular weight of RefChem:1051405 is 318.08 g/mol.
Where can I buy RefChem:1051405?
You can request a quote for RefChem:1051405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1051405?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1051405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.