(E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate
TL;DR: (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate (CAS 514822-03-8) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoate
Also Known As: IDI1_011112, (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate, ETHYL 4-[(2E)-3-(5-METHYLFURAN-2-YL)PROP-2-ENAMIDO]BENZOATE, ethyl 4-{[3-(5-methyl-2-furyl)acryloyl]amino}benzoate, F1443-3543
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 514822-03-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C |
| InChIKey | XIHQAXMEESFAHZ-ZHACJKMWSA-N |
Product Overview
(E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate (CAS 514822-03-8), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: ethyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate
Property Insights of (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(3-(5-methylfuran-2-yl)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)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate?
The CAS number of (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate is 514822-03-8.
What is the molecular formula of (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate?
The molecular formula of (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate is C17H17NO4.
What is the molecular weight of (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate?
The molecular weight of (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate is 299.12 g/mol.
Where can I buy (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate?
You can request a quote for (E)-ethyl 4-(3-(5-methylfuran-2-yl)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)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(3-(5-methylfuran-2-yl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.