3-硝基联苯
TL;DR: 3-硝基联苯 (CAS 2113-58-8) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基联苯
1-nitro-3-phenylbenzene
Also Known As: 3-Nitrobiphenyl, 3-Nitrodiphenyl, 3-Nitro-1,1'-biphenyl, 1,1'-Biphenyl, 3-nitro-, Biphenyl, 3-nitro-
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 2113-58-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | FYRPEHRWMVMHQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基联苯 (CAS 2113-58-8), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 1-nitro-3-phenylbenzene.
Chemical Property Profile of 3-硝基联苯
Property Insights of 3-硝基联苯
The XLogP value of 3.9 indicates that 3-硝基联苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 3-硝基联苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-硝基联苯 has 0 hydrogen bond donor(s) and 2 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-硝基联苯?
The CAS number of 3-硝基联苯 is 2113-58-8.
What is the molecular formula of 3-硝基联苯?
The molecular formula of 3-硝基联苯 is C12H9NO2.
What is the molecular weight of 3-硝基联苯?
The molecular weight of 3-硝基联苯 is 199.06 g/mol.
Where can I buy 3-硝基联苯?
You can request a quote for 3-硝基联苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基联苯?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基联苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.