![ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate structure](/static/products/312/312504-94-2.png)
ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
TL;DR: ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate (CAS 312504-94-2) 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.
ethyl 5-acetyloxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_011527, A1916/0080543, ethyl 5-acetoxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate, ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate, ethyl 5-acetyloxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
| Molecular Formula | C26H23NO4S |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 6.0248 |
| 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 | 1249.3134 |
Chemical Identifiers
| CAS Number | 312504-94-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3)CSC4=CC=CC=C4 |
Product Overview
ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate (CAS 312504-94-2), with molecular formula C26H23NO4S and molecular weight 445.13 g/mol. IUPAC: ethyl 5-acetyloxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate.
Chemical Property Profile of ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Property Insights of ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
The XLogP value of 6.0248 indicates that ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate 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 ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate?
The CAS number of ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate is 312504-94-2.
What is the molecular formula of ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate is C26H23NO4S.
What is the molecular weight of ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate is 445.13 g/mol.
Where can I buy ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(acetyloxy)-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.