3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate
TL;DR: 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate (CAS 372494-63-8) is a chemical compound with molecular formula C27H23NO5 and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-1-benzyl-2-methylindol-5-yl) 2-acetyloxybenzoate
Also Known As: BIM-0036194.P001, 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-acetoxybenzoate, 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate, (3-acetyl-1-benzyl-2-methylindol-5-yl) 2-acetyloxybenzoate
| Molecular Formula | C27H23NO5 |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 5.34512 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.15762 |
| Heavy Atoms | 33 |
| Complexity | 1368.2981 |
Chemical Identifiers
| CAS Number | 372494-63-8 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC(=O)C4=CC=CC=C4OC(=O)C)C(=O)C |
Product Overview
3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate (CAS 372494-63-8), with molecular formula C27H23NO5 and molecular weight 441.16 g/mol. IUPAC: (3-acetyl-1-benzyl-2-methylindol-5-yl) 2-acetyloxybenzoate.
Chemical Property Profile of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate
Property Insights of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate
The XLogP value of 5.34512 indicates that 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate. Following Lipinski's Rule of Five, 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate has 0 hydrogen bond donor(s) and 5 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-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate?
The CAS number of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate is 372494-63-8.
What is the molecular formula of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate?
The molecular formula of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate is C27H23NO5.
What is the molecular weight of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate?
The molecular weight of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate is 441.16 g/mol.
Where can I buy 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate?
You can request a quote for 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate 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-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(acetyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.