2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate
TL;DR: 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate (CAS 76777-27-0) is a chemical compound with molecular formula C19H25NO4 and molecular weight 331.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-methylbut-2-enyl)-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid
Also Known As: 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate, 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, oxalate, 2-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocineoxalate, Oxalic acid--2-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine (1/1), RefChem:1053538
| Molecular Formula | C19H25NO4 |
|---|---|
| Molecular Weight | 331.18 g/mol |
| LogP | 3.4326 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.17834 |
| Heavy Atoms | 24 |
| Complexity | 622.0089 |
Chemical Identifiers
| CAS Number | 76777-27-0 |
|---|---|
| SMILES | CC(=CCN1CCCC2CC1C3=CC=CC=C23)C.C(=O)(C(=O)O)O |
Product Overview
2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate (CAS 76777-27-0), with molecular formula C19H25NO4 and molecular weight 331.18 g/mol. IUPAC: 9-(3-methylbut-2-enyl)-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid.
Chemical Property Profile of 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate
Property Insights of 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate
The XLogP value of 3.4326 indicates that 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate. Following Lipinski's Rule of Five, 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate 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
Frequently Asked Questions
What is the CAS number of 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate?
The CAS number of 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate is 76777-27-0.
What is the molecular formula of 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate?
The molecular formula of 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate is C19H25NO4.
What is the molecular weight of 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate?
The molecular weight of 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate is 331.18 g/mol.
Where can I buy 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate?
You can request a quote for 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.