![isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4449/444930-34-1.webp)
isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 444930-34-1) is a chemical compound with molecular formula C21H24Cl2N2O3S and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3,4-dichlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[(3,4-dichlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(3-(3,4-dichlorophenyl)ureido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propan-2-yl 2-{[(3,4-dichlorophenyl)carbamoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H24Cl2N2O3S |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 6.779 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.08847 |
| Heavy Atoms | 29 |
| Complexity | 926.8903 |
Chemical Identifiers
| CAS Number | 444930-34-1 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)NC3=CC(=C(C=C3)Cl)Cl |
Product Overview
isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 444930-34-1), with molecular formula C21H24Cl2N2O3S and molecular weight 454.09 g/mol. IUPAC: propan-2-yl 2-[(3,4-dichlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.779 indicates that isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 444930-34-1.
What is the molecular formula of isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C21H24Cl2N2O3S.
What is the molecular weight of isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 454.09 g/mol.
Where can I buy isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[(3,4-dichloroanilino)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.