![propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate structure](/static/products/444/444933-08-8.png)
propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
TL;DR: propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate (CAS 444933-08-8) is a chemical compound with molecular formula C27H28N2O5S and molecular weight 492.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate, propyl 4-(4-sec-butylphenyl)-2-[(3-{3-nitrophenyl}acryloyl)amino]-3-thiophenecarboxylate, propyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]-4-[4-(methylpropyl)phenyl]t hiophene-3-carboxylate, propyl 4-[4-(butan-2-yl)phenyl]-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C27H28N2O5S |
|---|---|
| Molecular Weight | 492.17 g/mol |
| LogP | 7.0555 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 492.1719 |
| Heavy Atoms | 35 |
| Complexity | 1230.6235 |
Chemical Identifiers
| CAS Number | 444933-08-8 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)CC)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate (CAS 444933-08-8), with molecular formula C27H28N2O5S and molecular weight 492.17 g/mol. IUPAC: propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Property Insights of propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
The XLogP value of 7.0555 indicates that propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate 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 propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
The CAS number of propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is 444933-08-8.
What is the molecular formula of propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
The molecular formula of propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is C27H28N2O5S.
What is the molecular weight of propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
The molecular weight of propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is 492.17 g/mol.
Where can I buy propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
You can request a quote for propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]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 propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.