RefChem:1053470
TL;DR: RefChem:1053470 (CAS 69718-87-2) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;10-prop-2-enyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
Also Known As: 3-Allyl-2,3,4,5-tetrahydro-1,5-methano-1H-3-benzazepine oxalate, 1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(2-propenyl)-, ethanedioate (1:1), 2,3,4,5-Tetrahydro-3-(2-propenyl)-1,5-methano-1H-3-benzazepine ethanedioate, 1,5-Methano-1H-3-benzazepine, 2,3,4,5 tetrahydro-3-(2-propenyl)-, ethanedioate (1:1), Oxalic acid--3-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine (1/1)
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 1.9147 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 511.9629 |
Chemical Identifiers
| CAS Number | 69718-87-2 |
|---|---|
| SMILES | C=CCN1CC2CC(C1)C3=CC=CC=C23.C(=O)(C(=O)O)O |
Product Overview
RefChem:1053470 (CAS 69718-87-2), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: oxalic acid;10-prop-2-enyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.
Chemical Property Profile of RefChem:1053470
Property Insights of RefChem:1053470
The XLogP value of 1.9147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053470. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053470. Following Lipinski's Rule of Five, RefChem:1053470 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 RefChem:1053470?
The CAS number of RefChem:1053470 is 69718-87-2.
What is the molecular formula of RefChem:1053470?
The molecular formula of RefChem:1053470 is C16H19NO4.
What is the molecular weight of RefChem:1053470?
The molecular weight of RefChem:1053470 is 289.13 g/mol.
Where can I buy RefChem:1053470?
You can request a quote for RefChem:1053470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053470?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.