(E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate
TL;DR: (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate (CAS 327063-17-2) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
Also Known As: BUTYL 4-[(2E)-2-CYANO-3-(THIOPHEN-2-YL)PROP-2-ENAMIDO]BENZOATE, (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate, F0780-0112, butyl 4-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]benzoate, butyl 4-{[(2E)-2-cyano-3-(thiophen-2-yl)prop-2-enoyl]amino}benzoate
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.25068 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 787.0767 |
Chemical Identifiers
| CAS Number | 327063-17-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CS2)/C#N |
Product Overview
(E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate (CAS 327063-17-2), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: butyl 4-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate
Property Insights of (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate
The XLogP value of 4.25068 indicates that (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)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)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate?
The CAS number of (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate is 327063-17-2.
What is the molecular formula of (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate?
The molecular formula of (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate is C19H18N2O3S.
What is the molecular weight of (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate?
The molecular weight of (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate is 354.10 g/mol.
Where can I buy (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate?
You can request a quote for (E)-butyl 4-(2-cyano-3-(thiophen-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)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-butyl 4-(2-cyano-3-(thiophen-2-yl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.