methyl 3-(1H-indol-3-yl)-2-nitroacrylate
TL;DR: methyl 3-(1H-indol-3-yl)-2-nitroacrylate (CAS 42268-54-2) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate
Also Known As: methyl 3-(1H-indol-3-yl)-2-nitroacrylate, methyl (Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate, methyl (2Z)-3-indol-3-yl-2-nitroprop-2-enoate, methyl 3-(1H-indol-3-yl)-2-nitroprop-2-enoate, METHYL (2Z)-3-(1H-INDOL-3-YL)-2-NITROPROP-2-ENOATE
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 1.9585 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 642.31976 |
Chemical Identifiers
| CAS Number | 42268-54-2 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CNC2=CC=CC=C21)/[N+](=O)[O-] |
Product Overview
methyl 3-(1H-indol-3-yl)-2-nitroacrylate (CAS 42268-54-2), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: methyl (Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate.
Chemical Property Profile of methyl 3-(1H-indol-3-yl)-2-nitroacrylate
Property Insights of methyl 3-(1H-indol-3-yl)-2-nitroacrylate
The XLogP value of 1.9585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1H-indol-3-yl)-2-nitroacrylate. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1H-indol-3-yl)-2-nitroacrylate. Following Lipinski's Rule of Five, methyl 3-(1H-indol-3-yl)-2-nitroacrylate has 1 hydrogen bond donor(s) and 4 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-(1H-indol-3-yl)-2-nitroacrylate?
The CAS number of methyl 3-(1H-indol-3-yl)-2-nitroacrylate is 42268-54-2.
What is the molecular formula of methyl 3-(1H-indol-3-yl)-2-nitroacrylate?
The molecular formula of methyl 3-(1H-indol-3-yl)-2-nitroacrylate is C12H10N2O4.
What is the molecular weight of methyl 3-(1H-indol-3-yl)-2-nitroacrylate?
The molecular weight of methyl 3-(1H-indol-3-yl)-2-nitroacrylate is 246.06 g/mol.
Where can I buy methyl 3-(1H-indol-3-yl)-2-nitroacrylate?
You can request a quote for methyl 3-(1H-indol-3-yl)-2-nitroacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(1H-indol-3-yl)-2-nitroacrylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1H-indol-3-yl)-2-nitroacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.