(+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate
TL;DR: (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate (CAS 64471-21-2) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl) (E)-2-hydroxy-4-methyl-2-phenylhex-3-en-5-ynoate
Also Known As: (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate, (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) (E)-2-hydroxy-4-methyl-2-phenylhex-3-en-5-ynoate, Benzeneacetic acid, .alpha.-hydroxy-.alpha.-(2-methyl-1-buten-3-ynyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-2-yl ester, RefChem:1048899, BRN 1502117
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 2.6221 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 705.6014 |
Chemical Identifiers
| CAS Number | 64471-21-2 |
|---|---|
| SMILES | C/C(=C\C(C1=CC=CC=C1)(C(=O)OC2CCC3CCC2N3C)O)/C#C |
Product Overview
(+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate (CAS 64471-21-2), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-2-yl) (E)-2-hydroxy-4-methyl-2-phenylhex-3-en-5-ynoate.
Chemical Property Profile of (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate
Property Insights of (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate
The XLogP value of 2.6221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate. With a topological polar surface area (TPSA) of 49.77 Ų, (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate 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
Frequently Asked Questions
What is the CAS number of (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate?
The CAS number of (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate is 64471-21-2.
What is the molecular formula of (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate?
The molecular formula of (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate is C21H25NO3.
What is the molecular weight of (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate?
The molecular weight of (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate is 339.18 g/mol.
Where can I buy (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate?
You can request a quote for (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate?
Yes, KEHONG BIO provides custom synthesis services for (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.