methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate
TL;DR: methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate (CAS 6307-27-3) is a chemical compound with molecular formula C12H12BrNO2 and molecular weight 281.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate
Also Known As: (5-bromo-2-methoxy-phenyl)-acetaldehyde, (5-Brom-2-methoxy-phenyl)-acetaldehyd, methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate, methyl(5-bromo-2-methyl-1h-indol-3-yl)acetate, Methyl (5-bromo-2-methyl-1H-indol-3-yl)acetate
| Molecular Formula | C12H12BrNO2 |
|---|---|
| Molecular Weight | 281.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.00513 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 6307-27-3 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)Br)CC(=O)OC |
| InChIKey | MMOPAVZSDVZUSK-UHFFFAOYSA-N |
Product Overview
methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate (CAS 6307-27-3), with molecular formula C12H12BrNO2 and molecular weight 281.01 g/mol. IUPAC: methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate.
Chemical Property Profile of methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate
Property Insights of methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate. With a topological polar surface area (TPSA) of 42.1 Ų, methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate 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 methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate?
The CAS number of methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate is 6307-27-3.
What is the molecular formula of methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate?
The molecular formula of methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate is C12H12BrNO2.
What is the molecular weight of methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate?
The molecular weight of methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate is 281.01 g/mol.
Where can I buy methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate?
You can request a quote for methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.