3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate
TL;DR: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate (CAS 312945-70-3) is a chemical compound with molecular formula C25H20BrNO4 and molecular weight 477.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-bromobenzoate
Also Known As: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate, [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-bromobenzoate, [3-acetyl-1-(4-methoxyphenyl)-2-methyl-indol-5-yl] 2-bromobenzoate
| Molecular Formula | C25H20BrNO4 |
|---|---|
| Molecular Weight | 477.06 g/mol |
| LogP | 6.13182 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.05756 |
| Heavy Atoms | 31 |
| Complexity | 1305.3538 |
Chemical Identifiers
| CAS Number | 312945-70-3 |
|---|---|
| SMILES | CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OC(=O)C4=CC=CC=C4Br)C(=O)C |
Product Overview
3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate (CAS 312945-70-3), with molecular formula C25H20BrNO4 and molecular weight 477.06 g/mol. IUPAC: [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-bromobenzoate.
Chemical Property Profile of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate
Property Insights of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate
The XLogP value of 6.13182 indicates that 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate?
The CAS number of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate is 312945-70-3.
What is the molecular formula of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate?
The molecular formula of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate is C25H20BrNO4.
What is the molecular weight of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate?
The molecular weight of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate is 477.06 g/mol.
Where can I buy 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate?
You can request a quote for 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-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-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.