Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate
TL;DR: Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate (CAS 312940-14-0) is a chemical compound with molecular formula C22H16BrNO3S and molecular weight 453.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate
Also Known As: AE-848/11419104, ethyl 4-(4-bromophenyl)-2-(3-phenylpropiolamido)thiophene-3-carboxylate, ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate, ethyl 4-(4-bromophenyl)-2-[(3-phenylprop-2-ynoyl)amino]thiophene-3-carboxylate, ETHYL 4-(4-BROMOPHENYL)-2-(3-PHENYLPROP-2-YNAMIDO)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C22H16BrNO3S |
|---|---|
| Molecular Weight | 453.00 g/mol |
| LogP | 5.3445 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.00342 |
| Heavy Atoms | 28 |
| Complexity | 1046.8811 |
Chemical Identifiers
| CAS Number | 312940-14-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C#CC3=CC=CC=C3 |
Product Overview
Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate (CAS 312940-14-0), with molecular formula C22H16BrNO3S and molecular weight 453.00 g/mol. IUPAC: ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate
Property Insights of Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate
The XLogP value of 5.3445 indicates that Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
The CAS number of Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate is 312940-14-0.
What is the molecular formula of Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
The molecular formula of Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate is C22H16BrNO3S.
What is the molecular weight of Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
The molecular weight of Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate is 453.00 g/mol.
Where can I buy Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
You can request a quote for Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.