![methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate structure](/static/products/577/577996-87-3.png)
methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
TL;DR: methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate (CAS 577996-87-3) is a chemical compound with molecular formula C17H11BrF2N2O3 and molecular weight 407.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-3-[(2,6-difluorobenzoyl)amino]-1H-indole-2-carboxylate
Also Known As: METHYL 5-BROMO-3-(2,6-DIFLUOROBENZAMIDO)-1H-INDOLE-2-CARBOXYLATE, methyl 5-bromo-3-[(2,6-difluorobenzoyl)amino]-1H-indole-2-carboxylate, methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C17H11BrF2N2O3 |
|---|---|
| Molecular Weight | 407.99 g/mol |
| LogP | 4.2475 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.9921 |
| Heavy Atoms | 25 |
| Complexity | 980.7168 |
Chemical Identifiers
| CAS Number | 577996-87-3 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C3=C(C=CC=C3F)F |
Product Overview
methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate (CAS 577996-87-3), with molecular formula C17H11BrF2N2O3 and molecular weight 407.99 g/mol. IUPAC: methyl 5-bromo-3-[(2,6-difluorobenzoyl)amino]-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Property Insights of methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
The XLogP value of 4.2475 indicates that methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate has 2 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 methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate?
The CAS number of methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate is 577996-87-3.
What is the molecular formula of methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate?
The molecular formula of methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate is C17H11BrF2N2O3.
What is the molecular weight of methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate?
The molecular weight of methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate is 407.99 g/mol.
Where can I buy methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate?
You can request a quote for methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]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 methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.