4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate
TL;DR: 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate (CAS 413610-71-6) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate
Also Known As: 4-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate, 4-(1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylideneamino)butanoic acid, 4-[(2E)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylideneammonio]butanoate
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | -0.556 |
| Topological Polar Surface Area | 66.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 454.86215 |
Chemical Identifiers
| CAS Number | 413610-71-6 |
|---|---|
| SMILES | C1CC2=CC=CC=C2NC(=[NH+]CCCC(=O)[O-])C1 |
Product Overview
4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate (CAS 413610-71-6), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: 4-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate.
Chemical Property Profile of 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate
Property Insights of 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate
The XLogP value of -0.556 indicates that 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate. Following Lipinski's Rule of Five, 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate has 2 hydrogen bond donor(s) and 2 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 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate?
The CAS number of 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate is 413610-71-6.
What is the molecular formula of 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate?
The molecular formula of 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate is C14H18N2O2.
What is the molecular weight of 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate?
The molecular weight of 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate is 246.14 g/mol.
Where can I buy 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate?
You can request a quote for 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3,4,5-Tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.