![methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate structure](/static/products/116/1164504-10-2.png)
methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate
TL;DR: methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate (CAS 1164504-10-2) is a chemical compound with molecular formula C22H20N2O2 and molecular weight 344.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate
Also Known As: (E)-isopropyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate, methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate, propan-2-yl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate, (E)-3-(1-Benzyl-1H-indol-3-yl)-2-cyano-acrylic acid isopropyl ester, propan-2-yl (2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoate
| Molecular Formula | C22H20N2O2 |
|---|---|
| Molecular Weight | 344.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.15247 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 1164504-10-2 |
|---|---|
| SMILES | CC(C)OC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)/C#N |
| InChIKey | OGWWQHKPRFUJRK-LDADJPATSA-N |
Product Overview
methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate (CAS 1164504-10-2), with molecular formula C22H20N2O2 and molecular weight 344.15 g/mol. IUPAC: propan-2-yl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate.
Chemical Property Profile of methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate
Property Insights of methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate
The XLogP value of 4.6 indicates that methylethyl (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 55.0 Ų, methylethyl (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, methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate has 0 hydrogen bond donor(s) and 3 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 methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
The CAS number of methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate is 1164504-10-2.
What is the molecular formula of methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
The molecular formula of methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate is C22H20N2O2.
What is the molecular weight of methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
The molecular weight of methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate is 344.15 g/mol.
Where can I buy methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
You can request a quote for methylethyl (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 methylethyl (2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methylethyl (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.