![4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile structure](/static/products/727/727676-52-0.png)
4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile
TL;DR: 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile (CAS 727676-52-0) is a chemical compound with molecular formula C20H13N3 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile
Also Known As: 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile, (E)-4-(2-(9H-pyrido[3,4-b]indol-1-yl)vinyl)benzonitrile, 4-[(E)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile
| Molecular Formula | C20H13N3 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 4.75818 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.11096 |
| Heavy Atoms | 23 |
| Complexity | 1063.6385 |
Chemical Identifiers
| CAS Number | 727676-52-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)/C=C/C4=CC=C(C=C4)C#N |
Product Overview
4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile (CAS 727676-52-0), with molecular formula C20H13N3 and molecular weight 295.11 g/mol. IUPAC: 4-[(E)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile.
Chemical Property Profile of 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile
Property Insights of 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile
The XLogP value of 4.75818 indicates that 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile has 1 hydrogen bond donor(s) and 2 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 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile?
The CAS number of 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile is 727676-52-0.
What is the molecular formula of 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile?
The molecular formula of 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile is C20H13N3.
What is the molecular weight of 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile?
The molecular weight of 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile is 295.11 g/mol.
Where can I buy 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile?
You can request a quote for 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-2-(9H-beta-carbolin-1-yl)ethenyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.