(E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate
TL;DR: (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate (CAS 469871-49-6) is a chemical compound with molecular formula C30H27N3O3 and molecular weight 477.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: F0780-0116, (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate, butyl 4-[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enamido]benzoate, butyl 4-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoate, Butyl 4-[[3-(1-benzylindol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoate
| Molecular Formula | C30H27N3O3 |
|---|---|
| Molecular Weight | 477.21 g/mol |
| LogP | 6.19218 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.20523 |
| Heavy Atoms | 36 |
| Complexity | 1428.083 |
Chemical Identifiers
| CAS Number | 469871-49-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)/C#N |
Product Overview
(E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate (CAS 469871-49-6), with molecular formula C30H27N3O3 and molecular weight 477.21 g/mol. IUPAC: butyl 4-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate
Property Insights of (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate
The XLogP value of 6.19218 indicates that (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)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 (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate. Following Lipinski's Rule of Five, (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)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 (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate?
The CAS number of (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate is 469871-49-6.
What is the molecular formula of (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate?
The molecular formula of (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate is C30H27N3O3.
What is the molecular weight of (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate?
The molecular weight of (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate is 477.21 g/mol.
Where can I buy (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate?
You can request a quote for (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-butyl 4-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.