![2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile structure](/static/products/727/72740-50-2.png)
2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile
TL;DR: 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile (CAS 72740-50-2) is a chemical compound with molecular formula C16H18N2S2 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-phenyl-1,5-dithiaspiro[5.5]undec-3-ene-3-carbonitrile
Also Known As: 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile, 1,5-Dithiaspiro[5.5]undeca-2-ene-3-carbonitrile, 2-amino-4-phenyl-, 10-amino-8-phenyl-7,11-dithiaspiro[5.5]undec-9-ene-9-carbonitrile, 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile #
| Molecular Formula | C16H18N2S2 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.09116 |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 72740-50-2 |
|---|---|
| SMILES | C1CCC2(CC1)SC(C(=C(S2)N)C#N)C3=CC=CC=C3 |
| InChIKey | TUABJPJIDAZZAO-UHFFFAOYSA-N |
Product Overview
2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile (CAS 72740-50-2), with molecular formula C16H18N2S2 and molecular weight 302.09 g/mol. IUPAC: 4-amino-2-phenyl-1,5-dithiaspiro[5.5]undec-3-ene-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile
Property Insights of 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile
The XLogP value of 4.5 indicates that 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile?
The CAS number of 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile is 72740-50-2.
What is the molecular formula of 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile?
The molecular formula of 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile is C16H18N2S2.
What is the molecular weight of 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile?
The molecular weight of 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile is 302.09 g/mol.
Where can I buy 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile?
You can request a quote for 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile 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-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-phenyl-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.