![ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate structure](/static/products/116/1164458-38-1.png)
ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate
TL;DR: ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate (CAS 1164458-38-1) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(diethylaminomethylideneamino)-1H-indole-2-carboxylate
Also Known As: ethyl 3-(diethylaminomethylideneamino)-1H-indole-2-carboxylate, (E)-ethyl 3-(((diethylamino)methylene)amino)-1H-indole-2-carboxylate, ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate
| Molecular Formula | C16H21N3O2 |
|---|---|
| Molecular Weight | 287.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.1634 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 1164458-38-1 |
|---|---|
| SMILES | CCN(CC)C=NC1=C(NC2=CC=CC=C21)C(=O)OCC |
| InChIKey | RIPIXEMEUCBEBX-UHFFFAOYSA-N |
Product Overview
ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate (CAS 1164458-38-1), with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol. IUPAC: ethyl 3-(diethylaminomethylideneamino)-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate
Property Insights of ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate
The XLogP value of 3.0 indicates that ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate has 1 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 ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate?
The CAS number of ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate is 1164458-38-1.
What is the molecular formula of ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate is C16H21N3O2.
What is the molecular weight of ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate is 287.16 g/mol.
Where can I buy ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-{[(E)-(diethylamino)methylidene]amino}-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 ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{[(E)-(diethylamino)methylidene]amino}-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.