![Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate structure](/static/products/7142/714263-08-8.webp)
Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate
TL;DR: Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate (CAS 714263-08-8) is a chemical compound with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1-methyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]benzoate
Also Known As: AQ-390/42869114, ethyl 4-[(1-methyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]benzoate, ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate, ethyl 4-(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)benzoate
| Molecular Formula | C21H18N2O5S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 3.4073 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.09363 |
| Heavy Atoms | 29 |
| Complexity | 1250.0516 |
Chemical Identifiers
| CAS Number | 714263-08-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)N(C4=O)C |
Product Overview
Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate (CAS 714263-08-8), with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol. IUPAC: ethyl 4-[(1-methyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate
Property Insights of Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate
The XLogP value of 3.4073 indicates that Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate has 1 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 Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate?
The CAS number of Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate is 714263-08-8.
What is the molecular formula of Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate is C21H18N2O5S.
What is the molecular weight of Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate is 410.09 g/mol.
Where can I buy Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]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-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.