Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate
TL;DR: Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate (CAS 338406-63-6) is a chemical compound with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-amino-4-(4-chlorophenyl)but-2-enoate
Also Known As: methyl (2E)-3-amino-4-(4-chlorophenyl)but-2-enoate, methyl 3-amino-4-(4-chlorophenyl)-2-butenoate, methyl (E)-3-amino-4-(4-chlorophenyl)but-2-enoate, 3F-959, Methyl 3-amino-4-(4-chlorophenyl)but-2-enoate
| Molecular Formula | C11H12ClNO2 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 1.8981 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.05565 |
| Heavy Atoms | 15 |
| Complexity | 370.67923 |
Chemical Identifiers
| CAS Number | 338406-63-6 |
|---|---|
| SMILES | COC(=O)/C=C(\CC1=CC=C(C=C1)Cl)/N |
Product Overview
Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate (CAS 338406-63-6), with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol. IUPAC: methyl (E)-3-amino-4-(4-chlorophenyl)but-2-enoate.
Chemical Property Profile of Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate
Property Insights of Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate
The XLogP value of 1.8981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate 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 3-amino-4-(4-chlorophenyl)-2-butenoate?
The CAS number of Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate is 338406-63-6.
What is the molecular formula of Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate?
The molecular formula of Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate is C11H12ClNO2.
What is the molecular weight of Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate?
The molecular weight of Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate is 225.06 g/mol.
Where can I buy Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate?
You can request a quote for Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-(4-chlorophenyl)-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.