1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate
TL;DR: 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate (CAS 76777-29-2) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;9-prop-2-enyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
Also Known As: 2-Allyl-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-allyl-, oxalate, Oxalic acid--2-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine (1/1), RefChem:1053540
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 2.6524 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 557.5323 |
Chemical Identifiers
| CAS Number | 76777-29-2 |
|---|---|
| SMILES | C=CCN1CCCC2CC1C3=CC=CC=C23.C(=O)(C(=O)O)O |
Product Overview
1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate (CAS 76777-29-2), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: oxalic acid;9-prop-2-enyl-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-allyl-, oxalate
Property Insights of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate
The XLogP value of 2.6524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate. 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-allyl-, oxalate. Following Lipinski's Rule of Five, 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, 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-allyl-, oxalate?
The CAS number of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate is 76777-29-2.
What is the molecular formula of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate?
The molecular formula of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate is C17H21NO4.
What is the molecular weight of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate?
The molecular weight of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate is 303.15 g/mol.
Where can I buy 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate?
You can request a quote for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, 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-allyl-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-allyl-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.