Benzamide, 4-nitro-N-2-propynyl-
TL;DR: Benzamide, 4-nitro-N-2-propynyl- (CAS 52829-66-0) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-prop-2-ynylbenzamide
Also Known As: 4-Nitro-N-2-propynylbenzamide, Benzamide, 4-nitro-N-2-propynyl-, 4-nitro-N-(prop-2-yn-1-yl)benzamide, N-Propargyl-4-nitrobenzamide, 4-nitro-N-prop-2-ynylbenzamide
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 0.9578 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 417.2888 |
Chemical Identifiers
| CAS Number | 52829-66-0 |
|---|---|
| SMILES | C#CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Benzamide, 4-nitro-N-2-propynyl- (CAS 52829-66-0), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 4-nitro-N-prop-2-ynylbenzamide.
Chemical Property Profile of Benzamide, 4-nitro-N-2-propynyl-
Property Insights of Benzamide, 4-nitro-N-2-propynyl-
The XLogP value of 0.9578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, 4-nitro-N-2-propynyl-. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 4-nitro-N-2-propynyl-. Following Lipinski's Rule of Five, Benzamide, 4-nitro-N-2-propynyl- 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 Benzamide, 4-nitro-N-2-propynyl-?
The CAS number of Benzamide, 4-nitro-N-2-propynyl- is 52829-66-0.
What is the molecular formula of Benzamide, 4-nitro-N-2-propynyl-?
The molecular formula of Benzamide, 4-nitro-N-2-propynyl- is C10H8N2O3.
What is the molecular weight of Benzamide, 4-nitro-N-2-propynyl-?
The molecular weight of Benzamide, 4-nitro-N-2-propynyl- is 204.05 g/mol.
Where can I buy Benzamide, 4-nitro-N-2-propynyl-?
You can request a quote for Benzamide, 4-nitro-N-2-propynyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, 4-nitro-N-2-propynyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 4-nitro-N-2-propynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.