4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯
TL;DR: 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯 (CAS 4835-21-6) is a chemical compound with molecular formula C11H9ClN2O4 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯
4-chlorobut-2-ynyl N-(3-nitrophenyl)carbamate
Also Known As: N,N-dibutyl-1,6-diaminohexane, 4-chlorobut-2-ynyl N-(3-nitrophenyl)carbamate, 4-chlorobut-2-yn-1-yl(3-nitrophenyl)carbamate, (3-nitro-phenyl)-carbamic acid-(4-chloro-but-2-ynyl ester), 4-Chlorobut-2-yn-1-yl hydrogen (3-nitrophenyl)carbonimidate
| Molecular Formula | C11H9ClN2O4 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0251 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 4835-21-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)OCC#CCCl |
| InChIKey | OMSSGXSUXDPMMK-UHFFFAOYSA-N |
Product Overview
4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯 (CAS 4835-21-6), with molecular formula C11H9ClN2O4 and molecular weight 268.03 g/mol. IUPAC: 4-chlorobut-2-ynyl N-(3-nitrophenyl)carbamate.
Chemical Property Profile of 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯
Property Insights of 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯. Following Lipinski's Rule of Five, 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯 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 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯?
The CAS number of 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯 is 4835-21-6.
What is the molecular formula of 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯?
The molecular formula of 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯 is C11H9ClN2O4.
What is the molecular weight of 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯?
The molecular weight of 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯 is 268.03 g/mol.
Where can I buy 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯?
You can request a quote for 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯丁-2-炔基N-(3-硝基苯基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.