2-(2-Nitroethyl)benzamide
TL;DR: 2-(2-Nitroethyl)benzamide (CAS 400085-95-2) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroethyl)benzamide
Also Known As: 2-(2-nitroethyl)benzamide, 2-(2-nitroethyl)benzenecarboxamide, 7E-005
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 0.6047 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 362.82962 |
Chemical Identifiers
| CAS Number | 400085-95-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC[N+](=O)[O-])C(=O)N |
Product Overview
2-(2-Nitroethyl)benzamide (CAS 400085-95-2), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: 2-(2-nitroethyl)benzamide.
Chemical Property Profile of 2-(2-Nitroethyl)benzamide
Property Insights of 2-(2-Nitroethyl)benzamide
The XLogP value of 0.6047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitroethyl)benzamide. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitroethyl)benzamide. Following Lipinski's Rule of Five, 2-(2-Nitroethyl)benzamide has 1 hydrogen bond donor(s) and 3 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 2-(2-Nitroethyl)benzamide?
The CAS number of 2-(2-Nitroethyl)benzamide is 400085-95-2.
What is the molecular formula of 2-(2-Nitroethyl)benzamide?
The molecular formula of 2-(2-Nitroethyl)benzamide is C9H10N2O3.
What is the molecular weight of 2-(2-Nitroethyl)benzamide?
The molecular weight of 2-(2-Nitroethyl)benzamide is 194.07 g/mol.
Where can I buy 2-(2-Nitroethyl)benzamide?
You can request a quote for 2-(2-Nitroethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitroethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitroethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.