![isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate structure](/static/products/5247/524731-38-2.webp)
isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
TL;DR: isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate (CAS 524731-38-2) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate, propan-2-yl 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate, (E)-isopropyl 4,5-dimethyl-2-(3-(4-nitrophenyl)acrylamido)thiophene-3-carboxylate, methylethyl 2-[(2E)-3-(4-nitrophenyl)prop-2-enoylamino]-4,5-dimethylthiophene- 3-carboxylate, propan-2-yl 4,5-dimethyl-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.49024 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 897.569 |
Chemical Identifiers
| CAS Number | 524731-38-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate (CAS 524731-38-2), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: propan-2-yl 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
Property Insights of isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
The XLogP value of 4.49024 indicates that isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate 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 isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate 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 isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
The CAS number of isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is 524731-38-2.
What is the molecular formula of isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is C19H20N2O5S.
What is the molecular weight of isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is 388.11 g/mol.
Where can I buy isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5-dimethyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.