8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate
TL;DR: 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate (CAS 76777-19-0) is a chemical compound with molecular formula C20H27NO5 and molecular weight 361.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-9-(3-methylbut-2-enyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene;oxalic acid
Also Known As: 8-Methoxy-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-8-methoxy-2-(3-methyl-2-butenyl)-, oxalate, 2'-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate, Oxalic acid--8-methoxy-2-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine (1/1), RefChem:1093973
| Molecular Formula | C20H27NO5 |
|---|---|
| Molecular Weight | 361.19 g/mol |
| LogP | 3.4412 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.18893 |
| Heavy Atoms | 26 |
| Complexity | 681.442 |
Chemical Identifiers
| CAS Number | 76777-19-0 |
|---|---|
| SMILES | CC(=CCN1CCCC2CC1C3=C2C=C(C=C3)OC)C.C(=O)(C(=O)O)O |
Product Overview
8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate (CAS 76777-19-0), with molecular formula C20H27NO5 and molecular weight 361.19 g/mol. IUPAC: 4-methoxy-9-(3-methylbut-2-enyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene;oxalic acid.
Chemical Property Profile of 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate
Property Insights of 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate
The XLogP value of 3.4412 indicates that 8-Methoxy-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 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate. Following Lipinski's Rule of Five, 8-Methoxy-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 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 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate?
The CAS number of 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate is 76777-19-0.
What is the molecular formula of 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate?
The molecular formula of 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate is C20H27NO5.
What is the molecular weight of 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate?
The molecular weight of 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate is 361.19 g/mol.
Where can I buy 8-Methoxy-2-(3-methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine oxalate?
You can request a quote for 8-Methoxy-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 8-Methoxy-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 8-Methoxy-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.