![isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate structure](/static/products/4449/444935-62-0.webp)
isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate
TL;DR: isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate (CAS 444935-62-0) is a chemical compound with molecular formula C17H18N2O4S2 and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-carbamoyl-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate, propan-2-yl 5-carbamoyl-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate, (E)-isopropyl 5-carbamoyl-4-methyl-2-(3-(thiophen-2-yl)acrylamido)thiophene-3-carboxylate, ISOPROPYL 5-(AMINOCARBONYL)-4-METHYL-2-{[(E)-3-(2-THIENYL)-2-PROPENOYL]AMINO}-3-THIOPHENECARBOXYLATE, propan-2-yl 5-carbamoyl-4-methyl-2-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C17H18N2O4S2 |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 3.43402 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.0708 |
| Heavy Atoms | 25 |
| Complexity | 820.0715 |
Chemical Identifiers
| CAS Number | 444935-62-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC=CS2)C(=O)N |
Product Overview
isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate (CAS 444935-62-0), with molecular formula C17H18N2O4S2 and molecular weight 378.07 g/mol. IUPAC: propan-2-yl 5-carbamoyl-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate
Property Insights of isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate
The XLogP value of 3.43402 indicates that isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate has 2 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 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate?
The CAS number of isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate is 444935-62-0.
What is the molecular formula of isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate is C17H18N2O4S2.
What is the molecular weight of isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate is 378.07 g/mol.
Where can I buy isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-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 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-(aminocarbonyl)-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.