methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate
TL;DR: methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate (CAS 1189907-69-4) is a chemical compound with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-acetylindol-3-yl)-3-acetylsulfanyl-2-nitropropanoate
Also Known As: methyl 3-(1-acetylindol-3-yl)-3-acetylsulfanyl-2-nitropropanoate, methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate, methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylthio)-2-nitropropanoate
| Molecular Formula | C16H16N2O6S |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 2.4405 |
| Topological Polar Surface Area | 108.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0729 |
| Heavy Atoms | 25 |
| Complexity | 859.427 |
Chemical Identifiers
| CAS Number | 1189907-69-4 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)C(C(C(=O)OC)[N+](=O)[O-])SC(=O)C |
Product Overview
methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate (CAS 1189907-69-4), with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol. IUPAC: methyl 3-(1-acetylindol-3-yl)-3-acetylsulfanyl-2-nitropropanoate.
Chemical Property Profile of methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate
Property Insights of methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate
The XLogP value of 2.4405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate. The TPSA of 108.51 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate. Following Lipinski's Rule of Five, methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate has 0 hydrogen bond donor(s) and 7 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 methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate?
The CAS number of methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate is 1189907-69-4.
What is the molecular formula of methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate?
The molecular formula of methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate is C16H16N2O6S.
What is the molecular weight of methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate?
The molecular weight of methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate is 364.07 g/mol.
Where can I buy methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate?
You can request a quote for methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1-acetyl-1H-indol-3-yl)-3-(acetylsulfanyl)-2-nitropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.