(E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate
TL;DR: (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate (CAS 93014-56-3) is a chemical compound with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate, F0447-0080, BRD-K69425493-001-01-4, ETHYL 4-[(2E)-3-(5-NITROTHIOPHEN-2-YL)PROP-2-ENAMIDO]BENZOATE, ethyl 4-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]benzoate
| Molecular Formula | C16H14N2O5S |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 3.4849 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.06235 |
| Heavy Atoms | 24 |
| Complexity | 780.0204 |
Chemical Identifiers
| CAS Number | 93014-56-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-] |
Product Overview
(E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate (CAS 93014-56-3), with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol. IUPAC: ethyl 4-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate
Property Insights of (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate
The XLogP value of 3.4849 indicates that (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate has 1 hydrogen bond donor(s) and 6 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-nitrothiophen-2-yl)acrylamido)benzoate?
The CAS number of (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate is 93014-56-3.
What is the molecular formula of (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate?
The molecular formula of (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate is C16H14N2O5S.
What is the molecular weight of (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate?
The molecular weight of (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate is 346.06 g/mol.
Where can I buy (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate?
You can request a quote for (E)-ethyl 4-(3-(5-nitrothiophen-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-nitrothiophen-2-yl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(3-(5-nitrothiophen-2-yl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.