Nitrobenzene-d5
TL;DR: Nitrobenzene-d5 (CAS 4165-60-0) is a chemical compound with molecular formula C6H5NO2 and molecular weight 128.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentadeuterio-6-nitrobenzene
Also Known As: Nitrobenzene-d5, Nitrobenzene D5, Nitro(2H5)benzene, Oil of mirbane, Benzened5, nitro
| Molecular Formula | C6H5NO2 |
|---|---|
| Molecular Weight | 128.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.06342 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 4165-60-0 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])[N+](=O)[O-])[2H])[2H] |
| InChIKey | LQNUZADURLCDLV-RALIUCGRSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitrobenzene-d5 (CAS 4165-60-0), with molecular formula C6H5NO2 and molecular weight 128.06 g/mol. IUPAC: 1,2,3,4,5-pentadeuterio-6-nitrobenzene.
Chemical Property Profile of Nitrobenzene-d5
Property Insights of Nitrobenzene-d5
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrobenzene-d5. With a topological polar surface area (TPSA) of 45.8 Ų, Nitrobenzene-d5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitrobenzene-d5 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 Nitrobenzene-d5?
The CAS number of Nitrobenzene-d5 is 4165-60-0.
What is the molecular formula of Nitrobenzene-d5?
The molecular formula of Nitrobenzene-d5 is C6H5NO2.
What is the molecular weight of Nitrobenzene-d5?
The molecular weight of Nitrobenzene-d5 is 128.06 g/mol.
Where can I buy Nitrobenzene-d5?
You can request a quote for Nitrobenzene-d5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrobenzene-d5?
Yes, KEHONG BIO provides custom synthesis services for Nitrobenzene-d5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.