1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile
TL;DR: 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile (CAS 80997-86-0) is a chemical compound with molecular formula C22H15N and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-triphenylcycloprop-2-ene-1-carbonitrile
Also Known As: 1,2,3-triphenylcycloprop-2-ene-1-carbonitrile, KST-1B8720, J1.465.145D, 1,2,3-Triphenyl-2-cyclopropene-1-carbonitrile, TRIPHENYLCYCLOPROP-2-ENE-1-CARBONITRILE
| Molecular Formula | C22H15N |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.12045 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 80997-86-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C2(C#N)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | SMTWXCRTALXZBY-UHFFFAOYSA-N |
Product Overview
1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile (CAS 80997-86-0), with molecular formula C22H15N and molecular weight 293.12 g/mol. IUPAC: 1,2,3-triphenylcycloprop-2-ene-1-carbonitrile.
Chemical Property Profile of 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile
Property Insights of 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile
The XLogP value of 4.4 indicates that 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile has 0 hydrogen bond donor(s) and 1 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 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile?
The CAS number of 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile is 80997-86-0.
What is the molecular formula of 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile?
The molecular formula of 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile is C22H15N.
What is the molecular weight of 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile?
The molecular weight of 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile is 293.12 g/mol.
Where can I buy 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile?
You can request a quote for 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Triphenylcycloprop-2-ene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.