5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole
TL;DR: 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole (CAS 37629-41-7) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-2-nitroethenyl]-5-phenylmethoxy-1H-indole
Also Known As: 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole, 5-benzyloxy-3-(2-nitro-vinyl)-indole, (E)-5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole, EINECS 274-120-9, 5745AH
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 3.9943 |
| Topological Polar Surface Area | 68.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 822.29614 |
Chemical Identifiers
| CAS Number | 37629-41-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3/C=C/[N+](=O)[O-] |
Product Overview
5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole (CAS 37629-41-7), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: 3-[(E)-2-nitroethenyl]-5-phenylmethoxy-1H-indole.
Chemical Property Profile of 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole
Property Insights of 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole
The XLogP value of 3.9943 indicates that 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole. Following Lipinski's Rule of Five, 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole has 1 hydrogen bond donor(s) and 3 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 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole?
The CAS number of 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole is 37629-41-7.
What is the molecular formula of 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole?
The molecular formula of 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole is C17H14N2O3.
What is the molecular weight of 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole?
The molecular weight of 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole is 294.10 g/mol.
Where can I buy 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole?
You can request a quote for 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.