3-bromo-1H-indole-2-carboxylate
TL;DR: 3-bromo-1H-indole-2-carboxylate (CAS 28737-33-9) is a chemical compound with molecular formula C9H5BrNO2- and molecular weight 237.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1H-indole-2-carboxylate
Also Known As: 3-bromo-1H-indole-2-carboxylate, 3-Bromoindole-2-carboxylic Acid
| Molecular Formula | C9H5BrNO2- |
|---|---|
| Molecular Weight | 237.95 g/mol |
| LogP | 1.2939 |
| Topological Polar Surface Area | 55.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.95036 |
| Heavy Atoms | 13 |
| Complexity | 475.41946 |
Chemical Identifiers
| CAS Number | 28737-33-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)C(=O)[O-])Br |
Product Overview
3-bromo-1H-indole-2-carboxylate (CAS 28737-33-9), with molecular formula C9H5BrNO2- and molecular weight 237.95 g/mol. IUPAC: 3-bromo-1H-indole-2-carboxylate.
Chemical Property Profile of 3-bromo-1H-indole-2-carboxylate
Property Insights of 3-bromo-1H-indole-2-carboxylate
The XLogP value of 1.2939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 55.92 Ų, 3-bromo-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 2 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-bromo-1H-indole-2-carboxylate?
The CAS number of 3-bromo-1H-indole-2-carboxylate is 28737-33-9.
What is the molecular formula of 3-bromo-1H-indole-2-carboxylate?
The molecular formula of 3-bromo-1H-indole-2-carboxylate is C9H5BrNO2-.
What is the molecular weight of 3-bromo-1H-indole-2-carboxylate?
The molecular weight of 3-bromo-1H-indole-2-carboxylate is 237.95 g/mol.
Where can I buy 3-bromo-1H-indole-2-carboxylate?
You can request a quote for 3-bromo-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 3-bromo-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.