![propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/4449/444924-83-8.webp)
propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 444924-83-8) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, propyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, propyl 2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, PROPYL 2-{[(E)-3-(4-NITROPHENYL)-2-PROPENOYL]AMINO}-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 4.3637 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 930.8179 |
Chemical Identifiers
| CAS Number | 444924-83-8 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 444924-83-8), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 4.3637 indicates that propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]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 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 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 propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 444924-83-8.
What is the molecular formula of propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C20H20N2O5S.
What is the molecular weight of propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 400.11 g/mol.
Where can I buy propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]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 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.