3,4-Dibenzyloxy-beta-nitrostyrene
TL;DR: 3,4-Dibenzyloxy-beta-nitrostyrene (CAS 1699-54-3) is a chemical compound with molecular formula C22H19NO4 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene
Also Known As: 3,4-Dibenzyloxy-beta-nitrostyrene, 3,4-Dibenzyloxy-trans-, A-nitrostyrene, 1,2-bis(benzyloxy)-4-(2-nitroethenyl)benzene, 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene
| Molecular Formula | C22H19NO4 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.1314 |
| Heavy Atoms | 27 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 1699-54-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C[N+](=O)[O-])OCC3=CC=CC=C3 |
| InChIKey | CHTJRVASYXOBSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dibenzyloxy-beta-nitrostyrene (CAS 1699-54-3), with molecular formula C22H19NO4 and molecular weight 361.13 g/mol. IUPAC: 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene.
Chemical Property Profile of 3,4-Dibenzyloxy-beta-nitrostyrene
Property Insights of 3,4-Dibenzyloxy-beta-nitrostyrene
The XLogP value of 4.9 indicates that 3,4-Dibenzyloxy-beta-nitrostyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dibenzyloxy-beta-nitrostyrene. Following Lipinski's Rule of Five, 3,4-Dibenzyloxy-beta-nitrostyrene has 0 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 3,4-Dibenzyloxy-beta-nitrostyrene?
The CAS number of 3,4-Dibenzyloxy-beta-nitrostyrene is 1699-54-3.
What is the molecular formula of 3,4-Dibenzyloxy-beta-nitrostyrene?
The molecular formula of 3,4-Dibenzyloxy-beta-nitrostyrene is C22H19NO4.
What is the molecular weight of 3,4-Dibenzyloxy-beta-nitrostyrene?
The molecular weight of 3,4-Dibenzyloxy-beta-nitrostyrene is 361.13 g/mol.
Where can I buy 3,4-Dibenzyloxy-beta-nitrostyrene?
You can request a quote for 3,4-Dibenzyloxy-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dibenzyloxy-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dibenzyloxy-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.