![(E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate structure](/static/products/116/1164554-69-1.png)
(E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate
TL;DR: (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate (CAS 1164554-69-1) is a chemical compound with molecular formula C21H17ClN2O5 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate
Also Known As: (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate, 3-((E)-3-Benzo[1,3]dioxol-5-yl-acryloylamino)-5-chloro-1H-indole-2-carboxylic acid ethyl ester, ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate, ethyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-chloro-1H-indole-2-carboxylate
| Molecular Formula | C21H17ClN2O5 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 4.3786 |
| Topological Polar Surface Area | 89.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0826 |
| Heavy Atoms | 29 |
| Complexity | 1135.547 |
Chemical Identifiers
| CAS Number | 1164554-69-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4 |
Product Overview
(E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate (CAS 1164554-69-1), with molecular formula C21H17ClN2O5 and molecular weight 412.08 g/mol. IUPAC: ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate.
Chemical Property Profile of (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate
Property Insights of (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate
The XLogP value of 4.3786 indicates that (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 5 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 (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate?
The CAS number of (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate is 1164554-69-1.
What is the molecular formula of (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate?
The molecular formula of (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate is C21H17ClN2O5.
What is the molecular weight of (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate?
The molecular weight of (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate is 412.08 g/mol.
Where can I buy (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate?
You can request a quote for (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-5-chloro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.