![4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate structure](/static/products/4450/445013-91-2.webp)
4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate (CAS 445013-91-2) is a chemical compound with molecular formula C19H20ClNO5S and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-methyl 4-O-propan-2-yl 5-[[2-(4-chlorophenyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate, 2-O-methyl 4-O-propan-2-yl 5-[[2-(4-chlorophenyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate, 4-isopropyl 2-methyl 5-(2-(4-chlorophenyl)acetamido)-3-methylthiophene-2,4-dicarboxylate, 2-methyl 4-propan-2-yl 5-{[(4-chlorophenyl)acetyl]amino}-3-methylthiophene-2,4-dicarboxylate, methyl 5-[2-(4-chlorophenyl)acetylamino]-3-methyl-4-[(methylethyl)oxycarbonyl] thiophene-2-carboxylate
| Molecular Formula | C19H20ClNO5S |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 4.24292 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.07507 |
| Heavy Atoms | 27 |
| Complexity | 857.7301 |
Chemical Identifiers
| CAS Number | 445013-91-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate (CAS 445013-91-2), with molecular formula C19H20ClNO5S and molecular weight 409.08 g/mol. IUPAC: 2-O-methyl 4-O-propan-2-yl 5-[[2-(4-chlorophenyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 4.24292 indicates that 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate 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 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate is 445013-91-2.
What is the molecular formula of 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate is C19H20ClNO5S.
What is the molecular weight of 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate is 409.08 g/mol.
Where can I buy 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-isopropyl 2-methyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.