3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile
TL;DR: 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile (CAS 380644-01-9) is a chemical compound with molecular formula C15H10BrN3O and molecular weight 327.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile
Also Known As: 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile, 3-(3-bromoanilino)-2-oxoindoline-3-carbonitrile, AE-848/12530054, 3-((3-bromophenyl)amino)-2-oxoindoline-3-carbonitrile, 3-[(3-bromophenyl)amino]-2-oxo-2,3-dihydro-1H-indole-3-carbonitrile
| Molecular Formula | C15H10BrN3O |
|---|---|
| Molecular Weight | 327.00 g/mol |
| LogP | 3.23218 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.00073 |
| Heavy Atoms | 20 |
| Complexity | 737.8936 |
Chemical Identifiers
| CAS Number | 380644-01-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(=O)N2)(C#N)NC3=CC(=CC=C3)Br |
Product Overview
3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile (CAS 380644-01-9), with molecular formula C15H10BrN3O and molecular weight 327.00 g/mol. IUPAC: 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile.
Chemical Property Profile of 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile
Property Insights of 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile
The XLogP value of 3.23218 indicates that 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile. Following Lipinski's Rule of Five, 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile 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 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile?
The CAS number of 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile is 380644-01-9.
What is the molecular formula of 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile?
The molecular formula of 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile is C15H10BrN3O.
What is the molecular weight of 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile?
The molecular weight of 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile is 327.00 g/mol.
Where can I buy 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile?
You can request a quote for 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.