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Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate
TL;DR: Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate (CAS 55835-37-5) is a chemical compound with molecular formula C12H12FNO3 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-[(4-fluorobenzoyl)amino]but-2-enoate
Also Known As: methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate, AB00083249-01, methyl (E)-3-[(4-fluorobenzoyl)amino]but-2-enoate, methyl (2E)-3-[(4-fluorophenyl)carbonylamino]but-2-enoate, METHYL (2E)-3-[(4-FLUOROPHENYL)FORMAMIDO]BUT-2-ENOATE
| Molecular Formula | C12H12FNO3 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 1.6323 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.08012 |
| Heavy Atoms | 17 |
| Complexity | 451.3235 |
Chemical Identifiers
| CAS Number | 55835-37-5 |
|---|---|
| SMILES | C/C(=C\C(=O)OC)/NC(=O)C1=CC=C(C=C1)F |
Product Overview
Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate (CAS 55835-37-5), with molecular formula C12H12FNO3 and molecular weight 237.08 g/mol. IUPAC: methyl (E)-3-[(4-fluorobenzoyl)amino]but-2-enoate.
Chemical Property Profile of Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate
Property Insights of Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate
The XLogP value of 1.6323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(4-fluorobenzoyl)amino]-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-[(4-fluorobenzoyl)amino]-2-butenoate?
The CAS number of Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate is 55835-37-5.
What is the molecular formula of Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate?
The molecular formula of Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate is C12H12FNO3.
What is the molecular weight of Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate?
The molecular weight of Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate is 237.08 g/mol.
Where can I buy Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate?
You can request a quote for Methyl 3-[(4-fluorobenzoyl)amino]-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-[(4-fluorobenzoyl)amino]-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.