![3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile structure](/static/products/1996/199604-01-8.webp)
3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile
TL;DR: 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile (CAS 199604-01-8) is a chemical compound with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-1-oxo-5,10-dihydro-2H-azepino[3,4-b]indole-4-carbonitrile
Also Known As: 3-methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile, 3-methoxy-1-oxo-1H,2H,5H,10H-azepino[3,4-b]indole-4-carbonitrile, 3-methoxy-1-oxo-5,10-dihydro-2H-azepino[3,4-b]indole-4-carbonitrile, 11W-0225, 3-methoxy-1-oxo-2H,5H,10H-azepino[3,4-b]indole-4-carbonitrile
| Molecular Formula | C14H11N3O2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 1.83538 |
| Topological Polar Surface Area | 77.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.08513 |
| Heavy Atoms | 19 |
| Complexity | 749.62714 |
Chemical Identifiers
| CAS Number | 199604-01-8 |
|---|---|
| SMILES | COC1=C(CC2=C(C(=O)N1)NC3=CC=CC=C23)C#N |
Product Overview
3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile (CAS 199604-01-8), with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol. IUPAC: 3-methoxy-1-oxo-5,10-dihydro-2H-azepino[3,4-b]indole-4-carbonitrile.
Chemical Property Profile of 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile
Property Insights of 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile
The XLogP value of 1.83538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile. The TPSA of 77.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile 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 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile?
The CAS number of 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile is 199604-01-8.
What is the molecular formula of 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile?
The molecular formula of 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile is C14H11N3O2.
What is the molecular weight of 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile?
The molecular weight of 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile is 253.09 g/mol.
Where can I buy 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile?
You can request a quote for 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.