![2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile structure](/static/products/313/313379-47-4.png)
2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
TL;DR: 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CAS 313379-47-4) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 8-amino-10-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 313379-47-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCCC3)C(=C(N2)N)C#N)C#N |
| InChIKey | WNTPCRPNQJFXIC-UHFFFAOYSA-N |
Product Overview
2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CAS 313379-47-4), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 2-amino-4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
Chemical Property Profile of 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Property Insights of 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
The XLogP value of 4.5 indicates that 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile has 2 hydrogen bond donor(s) and 7 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 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The CAS number of 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is 313379-47-4.
What is the molecular formula of 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The molecular formula of 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is C21H22N4O2S.
What is the molecular weight of 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The molecular weight of 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is 394.15 g/mol.
Where can I buy 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
You can request a quote for 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.