benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate
TL;DR: benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate (CAS 51870-92-9) is a chemical compound with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate
Also Known As: Benzyl 3-(1H-indol-3-yl)-2-nitroacrylate, (Z)-benzyl 3-(1H-indol-3-yl)-2-nitroacrylate, benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate, benzyl (Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate
| Molecular Formula | C18H14N2O4 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 3.5289 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.09537 |
| Heavy Atoms | 24 |
| Complexity | 912.92816 |
Chemical Identifiers
| CAS Number | 51870-92-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)/C(=C/C2=CNC3=CC=CC=C32)/[N+](=O)[O-] |
Product Overview
benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate (CAS 51870-92-9), with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol. IUPAC: benzyl (Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate.
Chemical Property Profile of benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate
Property Insights of benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate
The XLogP value of 3.5289 indicates that benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate. Following Lipinski's Rule of Five, benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate 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 benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate?
The CAS number of benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate is 51870-92-9.
What is the molecular formula of benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate?
The molecular formula of benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate is C18H14N2O4.
What is the molecular weight of benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate?
The molecular weight of benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate is 322.10 g/mol.
Where can I buy benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate?
You can request a quote for benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl (2Z)-3-(1H-indol-3-yl)-2-nitroprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.