1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate
TL;DR: 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate (CAS 101771-79-3) is a chemical compound with molecular formula C22H25NO4 and molecular weight 367.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;9-(2-phenylethyl)-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
Also Known As: 2-Phenethyl-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-phenethyl-, oxalate, Oxalic acid--2-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine (1/1), RefChem:1053543
| Molecular Formula | C22H25NO4 |
|---|---|
| Molecular Weight | 367.18 g/mol |
| LogP | 3.7091 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.17834 |
| Heavy Atoms | 27 |
| Complexity | 777.9096 |
Chemical Identifiers
| CAS Number | 101771-79-3 |
|---|---|
| SMILES | C1CC2CC(C3=CC=CC=C23)N(C1)CCC4=CC=CC=C4.C(=O)(C(=O)O)O |
Product Overview
1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate (CAS 101771-79-3), with molecular formula C22H25NO4 and molecular weight 367.18 g/mol. IUPAC: oxalic acid;9-(2-phenylethyl)-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene.
Chemical Property Profile of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate
Property Insights of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate
The XLogP value of 3.7091 indicates that 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, 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 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate. Following Lipinski's Rule of Five, 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, 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 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate?
The CAS number of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate is 101771-79-3.
What is the molecular formula of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate?
The molecular formula of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate is C22H25NO4.
What is the molecular weight of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate?
The molecular weight of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate is 367.18 g/mol.
Where can I buy 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate?
You can request a quote for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-phenethyl-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.