![isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate structure](/static/products/4382/438211-87-1.webp)
isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate
TL;DR: isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate (CAS 438211-87-1) is a chemical compound with molecular formula C28H32N2O4S2 and molecular weight 524.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate
Also Known As: isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate, propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate, propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}thiophene-3-carboxylate, isopropyl 5-((2,4-dimethylphenyl)carbamoyl)-4-methyl-2-(6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)thiophene-3-carboxylate, methylethyl 5-[N-(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(6-methyl(4,5,6,7- tetrahydrobenzo[b]thiophen-3-yl))carbonylamino]thiophene-3-carboxylate
| Molecular Formula | C28H32N2O4S2 |
|---|---|
| Molecular Weight | 524.18 g/mol |
| LogP | 6.92946 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.18036 |
| Heavy Atoms | 36 |
| Complexity | 1335.5101 |
Chemical Identifiers
| CAS Number | 438211-87-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C(=C(S3)C(=O)NC4=C(C=C(C=C4)C)C)C)C(=O)OC(C)C |
Product Overview
isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate (CAS 438211-87-1), with molecular formula C28H32N2O4S2 and molecular weight 524.18 g/mol. IUPAC: propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate
Property Insights of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate
The XLogP value of 6.92946 indicates that isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate has 2 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 isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
The CAS number of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate is 438211-87-1.
What is the molecular formula of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate is C28H32N2O4S2.
What is the molecular weight of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate is 524.18 g/mol.
Where can I buy isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]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-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.