![3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile structure](/static/products/330/330834-16-7.png)
3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile
TL;DR: 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile (CAS 330834-16-7) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile
Also Known As: 3-amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile, 3-amino-8-ethyl-1-(phenylcarbonyl)-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 2.06408 |
| Topological Polar Surface Area | 79.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 667.25714 |
Chemical Identifiers
| CAS Number | 330834-16-7 |
|---|---|
| SMILES | CCN1CCC2(CC1)C(OC(=C2C#N)N)C(=O)C3=CC=CC=C3 |
Product Overview
3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile (CAS 330834-16-7), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 3-amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile.
Chemical Property Profile of 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile
Property Insights of 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile
The XLogP value of 2.06408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile. The TPSA of 79.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile has 1 hydrogen bond donor(s) and 5 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-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile?
The CAS number of 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile is 330834-16-7.
What is the molecular formula of 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile?
The molecular formula of 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile is C18H21N3O2.
What is the molecular weight of 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile?
The molecular weight of 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile is 311.16 g/mol.
Where can I buy 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile?
You can request a quote for 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-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-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-benzoyl-8-ethyl-2-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.