![butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate structure](/static/products/3133/313394-22-8.webp)
butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate
TL;DR: butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate (CAS 313394-22-8) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
Also Known As: AB00099117-01, (E)-butyl 4-(3-(furan-2-yl)acrylamido)benzoate, butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate, butyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 3.8884 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 656.83984 |
Chemical Identifiers
| CAS Number | 313394-22-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CO2 |
Product Overview
butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate (CAS 313394-22-8), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: butyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate
Property Insights of butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate
The XLogP value of 3.8884 indicates that butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate. Following Lipinski's Rule of Five, butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}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 butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate?
The CAS number of butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate is 313394-22-8.
What is the molecular formula of butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate?
The molecular formula of butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate is C18H19NO4.
What is the molecular weight of butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate?
The molecular weight of butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate is 313.13 g/mol.
Where can I buy butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate?
You can request a quote for butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.