Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate
TL;DR: Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate (CAS 205495-35-8) is a chemical compound with molecular formula C11H9Cl2NO2 and molecular weight 257.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-dichloroanilino)but-2-ynoate
Also Known As: methyl 4-(2,5-dichloroanilino)-2-butynoate, methyl 4-(2,5-dichloroanilino)but-2-ynoate, AH-034/36853011, methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate, methyl 4-[(2,5-dichlorophenyl)amino]but-2-ynoate
| Molecular Formula | C11H9Cl2NO2 |
|---|---|
| Molecular Weight | 257.00 g/mol |
| LogP | 2.5817 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.00104 |
| Heavy Atoms | 16 |
| Complexity | 449.03317 |
Chemical Identifiers
| CAS Number | 205495-35-8 |
|---|---|
| SMILES | COC(=O)C#CCNC1=C(C=CC(=C1)Cl)Cl |
Product Overview
Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate (CAS 205495-35-8), with molecular formula C11H9Cl2NO2 and molecular weight 257.00 g/mol. IUPAC: methyl 4-(2,5-dichloroanilino)but-2-ynoate.
Chemical Property Profile of Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate
Property Insights of Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate
The XLogP value of 2.5817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate 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 Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate?
The CAS number of Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate is 205495-35-8.
What is the molecular formula of Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate?
The molecular formula of Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate is C11H9Cl2NO2.
What is the molecular weight of Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate?
The molecular weight of Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate is 257.00 g/mol.
Where can I buy Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate?
You can request a quote for Methyl 4-((2,5-dichlorophenyl)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-((2,5-dichlorophenyl)amino)but-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((2,5-dichlorophenyl)amino)but-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.