(E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate
TL;DR: (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate (CAS 464909-87-3) is a chemical compound with molecular formula C17H14FNO3 and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate, methyl 4-{[3-(4-fluorophenyl)acryloyl]amino}benzoate, F3145-2585, methyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate, methyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoate
| Molecular Formula | C17H14FNO3 |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.09576 |
| Heavy Atoms | 22 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 464909-87-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)F |
| InChIKey | LLNNVNDUXBTXKJ-NYYWCZLTSA-N |
Product Overview
(E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate (CAS 464909-87-3), with molecular formula C17H14FNO3 and molecular weight 299.10 g/mol. IUPAC: methyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate
Property Insights of (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate
The XLogP value of 4.0 indicates that (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate 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 (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate?
The CAS number of (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate is 464909-87-3.
What is the molecular formula of (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate?
The molecular formula of (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate is C17H14FNO3.
What is the molecular weight of (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate?
The molecular weight of (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate is 299.10 g/mol.
Where can I buy (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate?
You can request a quote for (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(3-(4-fluorophenyl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.