![ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate structure](/static/products/307/307544-62-3.png)
ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate
TL;DR: ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate (CAS 307544-62-3) is a chemical compound with molecular formula C28H23N3O3 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate, ethyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoate, Ethyl 2-[[3-(1-benzylindol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoate, ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate
| Molecular Formula | C28H23N3O3 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 5.41198 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.17395 |
| Heavy Atoms | 34 |
| Complexity | 1411.8679 |
Chemical Identifiers
| CAS Number | 307544-62-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)/C#N |
Product Overview
ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate (CAS 307544-62-3), with molecular formula C28H23N3O3 and molecular weight 449.17 g/mol. IUPAC: ethyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate
Property Insights of ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate
The XLogP value of 5.41198 indicates that ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate?
The CAS number of ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate is 307544-62-3.
What is the molecular formula of ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate?
The molecular formula of ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate is C28H23N3O3.
What is the molecular weight of ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate?
The molecular weight of ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate is 449.17 g/mol.
Where can I buy ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate?
You can request a quote for ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.