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Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate
TL;DR: Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate (CAS 74013-97-1) is a chemical compound with molecular formula C14H9NO5 and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate
Also Known As: methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate, Methyl 2,4,9-trioxo-2,3,4,9-tetrahydro-1H-benzo[f]indole-3-carboxylate
| Molecular Formula | C14H9NO5 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.04807 |
| Heavy Atoms | 20 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 74013-97-1 |
|---|---|
| SMILES | COC(=O)C1C2=C(C(=O)C3=CC=CC=C3C2=O)NC1=O |
| InChIKey | JJVUZCGSPZTSQM-UHFFFAOYSA-N |
Product Overview
Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate (CAS 74013-97-1), with molecular formula C14H9NO5 and molecular weight 271.05 g/mol. IUPAC: methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate.
Chemical Property Profile of Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate
Property Insights of Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate 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 Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate?
The CAS number of Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate is 74013-97-1.
What is the molecular formula of Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate?
The molecular formula of Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate is C14H9NO5.
What is the molecular weight of Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate?
The molecular weight of Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate is 271.05 g/mol.
Where can I buy Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate?
You can request a quote for Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.