(E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate
TL;DR: (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate (CAS 300837-39-2) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-2-benzamido-3-morpholin-4-yl-3-oxoprop-1-enyl]benzoate
Also Known As: (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate, methyl 4-[(E)-2-benzamido-3-morpholin-4-yl-3-oxoprop-1-enyl]benzoate, methyl 4-{(1E)-3-(morpholin-4-yl)-3-oxo-2-[(phenylcarbonyl)amino]prop-1-en-1-yl}benzoate
| Molecular Formula | C22H22N2O5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 2.1029 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.15286 |
| Heavy Atoms | 29 |
| Complexity | 900.5597 |
Chemical Identifiers
| CAS Number | 300837-39-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C(\C(=O)N2CCOCC2)/NC(=O)C3=CC=CC=C3 |
Product Overview
(E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate (CAS 300837-39-2), with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol. IUPAC: methyl 4-[(E)-2-benzamido-3-morpholin-4-yl-3-oxoprop-1-enyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate
Property Insights of (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate
The XLogP value of 2.1029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate 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 (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate?
The CAS number of (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate is 300837-39-2.
What is the molecular formula of (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate?
The molecular formula of (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate is C22H22N2O5.
What is the molecular weight of (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate?
The molecular weight of (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate is 394.15 g/mol.
Where can I buy (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate?
You can request a quote for (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)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-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.