3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate
TL;DR: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate (CAS 737771-64-1) is a chemical compound with molecular formula C26H23NO4S and molecular weight 445.13 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-phenylsulfanylacetate
Also Known As: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate, [3-acetyl-1-(4-methoxyphenyl)-2-methyl-indol-5-yl] 2-phenylsulfanylacetate, [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenylsulfanylacetate, 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-(phenylthio)acetate
| Molecular Formula | C26H23NO4S |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 5.84782 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.13477 |
| Heavy Atoms | 32 |
| Complexity | 1276.9333 |
Chemical Identifiers
| CAS Number | 737771-64-1 |
|---|---|
| SMILES | CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OC(=O)CSC4=CC=CC=C4)C(=O)C |
Product Overview
3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate (CAS 737771-64-1), with molecular formula C26H23NO4S and molecular weight 445.13 g/mol. IUPAC: [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenylsulfanylacetate.
Chemical Property Profile of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate
Property Insights of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate
The XLogP value of 5.84782 indicates that 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate 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 (phenylsulfanyl)acetate 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 (phenylsulfanyl)acetate 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-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate?
The CAS number of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate is 737771-64-1.
What is the molecular formula of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate?
The molecular formula of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate is C26H23NO4S.
What is the molecular weight of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate?
The molecular weight of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate is 445.13 g/mol.
Where can I buy 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate?
You can request a quote for 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate 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 (phenylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl (phenylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.