![ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate structure](/static/products/904/904499-40-7.png)
ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate
TL;DR: ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate (CAS 904499-40-7) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4,5,6-trimethoxy-1H-indole-2-carbonyl)amino]benzoate
Also Known As: ethyl 4-(4,5,6-trimethoxy-1H-indole-2-carboxamido)benzoate, ethyl 4-[(4,5,6-trimethoxy-1H-indole-2-carbonyl)amino]benzoate, ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 3.6227 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 1039.5011 |
Chemical Identifiers
| CAS Number | 904499-40-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=C(C=C3N2)OC)OC)OC |
Product Overview
ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate (CAS 904499-40-7), with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol. IUPAC: ethyl 4-[(4,5,6-trimethoxy-1H-indole-2-carbonyl)amino]benzoate.
Chemical Property Profile of ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate
Property Insights of ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate
The XLogP value of 3.6227 indicates that ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate has 2 hydrogen bond donor(s) and 6 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 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate?
The CAS number of ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate is 904499-40-7.
What is the molecular formula of ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate?
The molecular formula of ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate is C21H22N2O6.
What is the molecular weight of ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate?
The molecular weight of ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate is 398.15 g/mol.
Where can I buy ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate?
You can request a quote for ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]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 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.