![octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate structure](/static/products/374/374092-98-5.png)
octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate
TL;DR: octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate (CAS 374092-98-5) is a chemical compound with molecular formula C27H30N2O2 and molecular weight 414.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate
Also Known As: Octyl 3-(1-benzylindol-3-yl)-2-cyano-prop-2-enoate, (E)-octyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate, octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate, octyl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate, octyl (2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoate
| Molecular Formula | C27H30N2O2 |
|---|---|
| Molecular Weight | 414.23 g/mol |
| LogP | 6.50028 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 414.23074 |
| Heavy Atoms | 31 |
| Complexity | 1057.78 |
Chemical Identifiers
| CAS Number | 374092-98-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)/C#N |
Product Overview
octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate (CAS 374092-98-5), with molecular formula C27H30N2O2 and molecular weight 414.23 g/mol. IUPAC: octyl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate.
Chemical Property Profile of octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate
Property Insights of octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate
The XLogP value of 6.50028 indicates that octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.02 Ų, octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
The CAS number of octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate is 374092-98-5.
What is the molecular formula of octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
The molecular formula of octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate is C27H30N2O2.
What is the molecular weight of octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
The molecular weight of octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate is 414.23 g/mol.
Where can I buy octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
You can request a quote for octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for octyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.