1-(Benzyloxy)-2,4-dinitrobenzene
TL;DR: 1-(Benzyloxy)-2,4-dinitrobenzene (CAS 27508-09-4) is a chemical compound with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-1-phenylmethoxybenzene
Also Known As: 1-(benzyloxy)-2,4-dinitrobenzene, NCIOpen2_006062, 2,4-dinitro-1-phenylmethoxybenzene, Benzene,2,4-dinitro-1-(phenylmethoxy)-, Benzene, 2,4-dinitro-1-(phenylmethoxy)-
| Molecular Formula | C13H10N2O5 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.05896 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 27508-09-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZZNLNWYQMOPBAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Benzyloxy)-2,4-dinitrobenzene (CAS 27508-09-4), with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol. IUPAC: 2,4-dinitro-1-phenylmethoxybenzene.
Chemical Property Profile of 1-(Benzyloxy)-2,4-dinitrobenzene
Property Insights of 1-(Benzyloxy)-2,4-dinitrobenzene
The XLogP value of 3.0 indicates that 1-(Benzyloxy)-2,4-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzyloxy)-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-(Benzyloxy)-2,4-dinitrobenzene has 0 hydrogen bond donor(s) and 5 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 1-(Benzyloxy)-2,4-dinitrobenzene?
The CAS number of 1-(Benzyloxy)-2,4-dinitrobenzene is 27508-09-4.
What is the molecular formula of 1-(Benzyloxy)-2,4-dinitrobenzene?
The molecular formula of 1-(Benzyloxy)-2,4-dinitrobenzene is C13H10N2O5.
What is the molecular weight of 1-(Benzyloxy)-2,4-dinitrobenzene?
The molecular weight of 1-(Benzyloxy)-2,4-dinitrobenzene is 274.06 g/mol.
Where can I buy 1-(Benzyloxy)-2,4-dinitrobenzene?
You can request a quote for 1-(Benzyloxy)-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzyloxy)-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzyloxy)-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.