RefChem:1080853
TL;DR: RefChem:1080853 (CAS 65226-03-1) is a chemical compound with molecular formula C22H25ClN2O2 and molecular weight 384.16046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(1-ethynylcyclohexyl)azetidin-1-ium-3-yl] N-naphthalen-1-ylcarbamate chloride
Also Known As: 1-Naphthalenylcarbamic acid 1-(1-ethynylcyclohexyl)-3-azetidinyl ester hydrochloride, Carbamic acid, 1-naphthalenyl-, 1-(1-ethynylcyclohexyl)-3-azetidinyl ester, monohydrochloride, [1-(1-ethynylcyclohexyl)azetidin-1-ium-3-yl] N-naphthalen-1-ylcarbamate chloride, [1-(1-ethynylcyclohexyl)azetidin-1-ium-3-yl] N-naphthalen-1-ylcarbamatechloride, [1-(1-Ethynylcyclohexyl)azetidin-1-ium-3-yl]n-naphthalen-1-ylcarbamatechloride
Technical Specifications
| Molecular Formula | C22H25ClN2O2 |
| Molecular Weight | 384.16046 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.16046 Da |
| Heavy Atoms | 27 |
| Complexity | 554.0 |
| SMILES | C#CC1(CCCCC1)[NH+]2CC(C2)OC(=O)NC3=CC=CC4=CC=CC=C43.[Cl-] |
| InChIKey | SURNCZOLYRDTSJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1080853
Property Insights of RefChem:1080853
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1080853. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1080853 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080853 has 2 hydrogen bond donor(s) and 3 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:1080853?
The CAS number of RefChem:1080853 is 65226-03-1.
What is the molecular formula of RefChem:1080853?
The molecular formula of RefChem:1080853 is C22H25ClN2O2.
What is the molecular weight of RefChem:1080853?
The molecular weight of RefChem:1080853 is 384.16046 g/mol.
Where can I buy RefChem:1080853?
You can request a quote for RefChem:1080853 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1080853?
Yes, CoreyChem provides custom synthesis services for RefChem:1080853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.