3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate
TL;DR: 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate (CAS 312945-66-7) is a chemical compound with molecular formula C19H16BrNO3 and molecular weight 385.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-1,2-dimethylindol-5-yl) 3-bromobenzoate
Also Known As: 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate, 3-acetyl-1,2-dimethylindol-5-yl 3-bromobenzoate, (3-acetyl-1,2-dimethylindol-5-yl) 3-bromobenzoate
| Molecular Formula | C19H16BrNO3 |
|---|---|
| Molecular Weight | 385.03 g/mol |
| LogP | 4.67102 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.03137 |
| Heavy Atoms | 24 |
| Complexity | 972.1475 |
Chemical Identifiers
| CAS Number | 312945-66-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1C)C=CC(=C2)OC(=O)C3=CC(=CC=C3)Br)C(=O)C |
Product Overview
3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate (CAS 312945-66-7), with molecular formula C19H16BrNO3 and molecular weight 385.03 g/mol. IUPAC: (3-acetyl-1,2-dimethylindol-5-yl) 3-bromobenzoate.
Chemical Property Profile of 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate
Property Insights of 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate
The XLogP value of 4.67102 indicates that 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate has 0 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-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate?
The CAS number of 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate is 312945-66-7.
What is the molecular formula of 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate?
The molecular formula of 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate is C19H16BrNO3.
What is the molecular weight of 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate?
The molecular weight of 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate is 385.03 g/mol.
Where can I buy 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate?
You can request a quote for 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1,2-dimethyl-1H-indol-5-yl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.