![[(1R,2S)-1,2-dinitro-2-phenylethyl]benzene structure](/static/products/132/13286-95-8.png)
[(1R,2S)-1,2-dinitro-2-phenylethyl]benzene
TL;DR: [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene (CAS 13286-95-8) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S)-1,2-dinitro-2-phenylethyl]benzene
Also Known As: meso-1,2-dinitro-1,2-diphenylethane, [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.0224 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 545.5857 |
Chemical Identifiers
| CAS Number | 13286-95-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
[(1R,2S)-1,2-dinitro-2-phenylethyl]benzene (CAS 13286-95-8), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene.
Chemical Property Profile of [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene
Property Insights of [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene
The XLogP value of 3.0224 indicates that [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene. Following Lipinski's Rule of Five, [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene 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 [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene?
The CAS number of [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene is 13286-95-8.
What is the molecular formula of [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene?
The molecular formula of [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene is C14H12N2O4.
What is the molecular weight of [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene?
The molecular weight of [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene is 272.08 g/mol.
Where can I buy [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene?
You can request a quote for [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(1R,2S)-1,2-dinitro-2-phenylethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.