2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide
TL;DR: 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide (CAS 439095-98-4) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroethyl)-N-(thiophen-2-ylmethyl)benzamide
Also Known As: 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide, 2-(2-nitroethyl)-N-(thiophen-2-ylmethyl)benzamide, 2J-061, 2-(2-nitroethyl)-N-[(thiophen-2-yl)methyl]benzamide
| Molecular Formula | C14H14N2O3S |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 2.4973 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.0725 |
| Heavy Atoms | 20 |
| Complexity | 596.2263 |
Chemical Identifiers
| CAS Number | 439095-98-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC[N+](=O)[O-])C(=O)NCC2=CC=CS2 |
Product Overview
2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide (CAS 439095-98-4), with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol. IUPAC: 2-(2-nitroethyl)-N-(thiophen-2-ylmethyl)benzamide.
Chemical Property Profile of 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide
Property Insights of 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide
The XLogP value of 2.4973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide. Following Lipinski's Rule of Five, 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide has 1 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 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide?
The CAS number of 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide is 439095-98-4.
What is the molecular formula of 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide?
The molecular formula of 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide is C14H14N2O3S.
What is the molecular weight of 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide?
The molecular weight of 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide is 290.07 g/mol.
Where can I buy 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide?
You can request a quote for 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide 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)-N-(2-thienylmethyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-nitroethyl)-N-(2-thienylmethyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.