1,3-Diethyl-2-nitrobenzene
TL;DR: 1,3-Diethyl-2-nitrobenzene (CAS 57442-24-7) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-2-nitrobenzene
Also Known As: 1,3-Diethyl-2-nitrobenzene, 2,6-diethylnitrobenzene, Benzene, 1,3-diethyl-2-nitro-, 1-Nitro-2,6-diethylbenzene, 2,6-Diethyl-1-nitrobenzene
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 2.7196 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 298.45084 |
Chemical Identifiers
| CAS Number | 57442-24-7 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)[N+](=O)[O-] |
Product Overview
1,3-Diethyl-2-nitrobenzene (CAS 57442-24-7), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 1,3-diethyl-2-nitrobenzene.
Chemical Property Profile of 1,3-Diethyl-2-nitrobenzene
Property Insights of 1,3-Diethyl-2-nitrobenzene
The XLogP value of 2.7196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl-2-nitrobenzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1,3-Diethyl-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl-2-nitrobenzene 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 1,3-Diethyl-2-nitrobenzene?
The CAS number of 1,3-Diethyl-2-nitrobenzene is 57442-24-7.
What is the molecular formula of 1,3-Diethyl-2-nitrobenzene?
The molecular formula of 1,3-Diethyl-2-nitrobenzene is C10H13NO2.
What is the molecular weight of 1,3-Diethyl-2-nitrobenzene?
The molecular weight of 1,3-Diethyl-2-nitrobenzene is 179.09 g/mol.
Where can I buy 1,3-Diethyl-2-nitrobenzene?
You can request a quote for 1,3-Diethyl-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.