1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate
TL;DR: 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate (CAS 76777-24-7) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid
Also Known As: 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-, oxalate, Oxalic acid--1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine (1/1), RefChem:1053536
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.754 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 443.08923 |
Chemical Identifiers
| CAS Number | 76777-24-7 |
|---|---|
| SMILES | C1CC2CC(C3=CC=CC=C23)NC1.C(=O)(C(=O)O)O |
Product Overview
1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate (CAS 76777-24-7), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: 9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid.
Chemical Property Profile of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate
Property Insights of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate
The XLogP value of 1.754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate. Following Lipinski's Rule of Five, 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate has 3 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-, oxalate?
The CAS number of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate is 76777-24-7.
What is the molecular formula of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate?
The molecular formula of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate is C14H17NO4.
What is the molecular weight of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate?
The molecular weight of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate is 263.12 g/mol.
Where can I buy 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate?
You can request a quote for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, 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-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.