RefChem:347373
TL;DR: RefChem:347373 (CAS 101564-58-3) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate
Also Known As: 2-Methyl-3-quinuclidyl isopropyl(3-methyl-but-1-yn-3-enyl)glycolate, Hexa-3-yn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 2-methyl-3-quinuclidinyl ester, (7-Methyl-1-azabicyclo[2.2.2]octan-8-yl)2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate, 2-Methyl-3-quinuclidylisopropyl(3-methyl-but-1-yn-3-enyl)glycolate, 2-Hydroxy-2-isopropyl-5-methyl-5-hexen-3-ynoic acid 2-methyl-3-quinuclidinyl ester
Technical Specifications
| Molecular Formula | C18H27NO3 |
| Molecular Weight | 305.1991 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.1991 Da |
| Heavy Atoms | 22 |
| Complexity | 519.0 |
| SMILES | CC1C(C2CCN1CC2)OC(=O)C(C#CC(=C)C)(C(C)C)O |
| InChIKey | TWWTYALAPBHYRQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:347373
Property Insights of RefChem:347373
The XLogP value of 3.5 indicates that RefChem:347373 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:347373 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:347373 has 1 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:347373?
The CAS number of RefChem:347373 is 101564-58-3.
What is the molecular formula of RefChem:347373?
The molecular formula of RefChem:347373 is C18H27NO3.
What is the molecular weight of RefChem:347373?
The molecular weight of RefChem:347373 is 305.1991 g/mol.
Where can I buy RefChem:347373?
You can request a quote for RefChem:347373 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:347373?
Yes, CoreyChem provides custom synthesis services for RefChem:347373 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.