Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate
TL;DR: Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate (CAS 684232-16-4) is a chemical compound with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)carbamoyl]benzoate
Also Known As: F1166-0065, methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate, methyl 4-({2-ethyl-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-9-yl}carbamoyl)benzoate, methyl 4-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)carbamoyl]benzoate
| Molecular Formula | C22H18N2O4 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 3.8588 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.12665 |
| Heavy Atoms | 28 |
| Complexity | 1119.335 |
Chemical Identifiers
| CAS Number | 684232-16-4 |
|---|---|
| SMILES | CCN1C2=C3C(=C(C=C2)NC(=O)C4=CC=C(C=C4)C(=O)OC)C=CC=C3C1=O |
Product Overview
Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate (CAS 684232-16-4), with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol. IUPAC: methyl 4-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate
Property Insights of Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate
The XLogP value of 3.8588 indicates that Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate has 1 hydrogen bond donor(s) and 4 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 Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate?
The CAS number of Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate is 684232-16-4.
What is the molecular formula of Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate?
The molecular formula of Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate is C22H18N2O4.
What is the molecular weight of Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate?
The molecular weight of Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate is 374.13 g/mol.
Where can I buy Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate?
You can request a quote for Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.