RefChem:1068633
TL;DR: RefChem:1068633 (CAS 145429-88-5) is a chemical compound with molecular formula C9H13ClN2O2 and molecular weight 216.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(1-hydroxy-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride
Also Known As: (4-butoxyphenyl)-(4-nitrophenyl)diazene, 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-hydroxy-, O-2-propynyloxime, monohydrochloride, (E)-, 1-Hydroxy-1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-2-propynyloxime hydrochloride, (E)-1-(1-hydroxy-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride, (E)-1-(1-hydroxy-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine,hydrochloride
Technical Specifications
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.06656 g/mol |
| XLogP | 1.0651 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.06656 Da |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
| SMILES | C#CCO/N=C/C1=CCCN(C1)O.Cl |
| InChIKey | WBOUJGLQXVBYAT-HCUGZAAXSA-N |
Chemical Property Profile of RefChem:1068633
Property Insights of RefChem:1068633
The XLogP value of 1.0651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068633. With a topological polar surface area (TPSA) of 45.1 Ų, RefChem:1068633 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068633 has 2 hydrogen bond donor(s) and 4 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:1068633?
The CAS number of RefChem:1068633 is 145429-88-5.
What is the molecular formula of RefChem:1068633?
The molecular formula of RefChem:1068633 is C9H13ClN2O2.
What is the molecular weight of RefChem:1068633?
The molecular weight of RefChem:1068633 is 216.06656 g/mol.
Where can I buy RefChem:1068633?
You can request a quote for RefChem:1068633 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068633?
Yes, CoreyChem provides custom synthesis services for RefChem:1068633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.