Methyl 4-((4-nitrophenyl)amino)but-2-ynoate
TL;DR: Methyl 4-((4-nitrophenyl)amino)but-2-ynoate (CAS 313684-47-8) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-nitroanilino)but-2-ynoate
Also Known As: methyl 4-(4-nitroanilino)but-2-ynoate, methyl 4-((4-nitrophenyl)amino)but-2-ynoate, methyl 4-[(4-nitrophenyl)amino]but-2-ynoate
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 1.1831 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 470.48508 |
Chemical Identifiers
| CAS Number | 313684-47-8 |
|---|---|
| SMILES | COC(=O)C#CCNC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Methyl 4-((4-nitrophenyl)amino)but-2-ynoate (CAS 313684-47-8), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: methyl 4-(4-nitroanilino)but-2-ynoate.
Chemical Property Profile of Methyl 4-((4-nitrophenyl)amino)but-2-ynoate
Property Insights of Methyl 4-((4-nitrophenyl)amino)but-2-ynoate
The XLogP value of 1.1831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-((4-nitrophenyl)amino)but-2-ynoate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((4-nitrophenyl)amino)but-2-ynoate. Following Lipinski's Rule of Five, Methyl 4-((4-nitrophenyl)amino)but-2-ynoate has 1 hydrogen bond donor(s) and 5 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 Methyl 4-((4-nitrophenyl)amino)but-2-ynoate?
The CAS number of Methyl 4-((4-nitrophenyl)amino)but-2-ynoate is 313684-47-8.
What is the molecular formula of Methyl 4-((4-nitrophenyl)amino)but-2-ynoate?
The molecular formula of Methyl 4-((4-nitrophenyl)amino)but-2-ynoate is C11H10N2O4.
What is the molecular weight of Methyl 4-((4-nitrophenyl)amino)but-2-ynoate?
The molecular weight of Methyl 4-((4-nitrophenyl)amino)but-2-ynoate is 234.06 g/mol.
Where can I buy Methyl 4-((4-nitrophenyl)amino)but-2-ynoate?
You can request a quote for Methyl 4-((4-nitrophenyl)amino)but-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((4-nitrophenyl)amino)but-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((4-nitrophenyl)amino)but-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.