![isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4381/438194-80-0.webp)
isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438194-80-0) is a chemical compound with molecular formula C23H27Cl2NO4S and molecular weight 483.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[2-(2,5-dichlorophenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[2-(2,5-dichlorophenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(2-(2,5-dichlorophenoxy)butanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-[2-(2,5-dichlorophenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahyd robenzo[b]thiophene-3-carboxylate
| Molecular Formula | C23H27Cl2NO4S |
|---|---|
| Molecular Weight | 483.10 g/mol |
| LogP | 6.541 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.1038 |
| Heavy Atoms | 31 |
| Complexity | 972.7263 |
Chemical Identifiers
| CAS Number | 438194-80-0 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC(C)C)OC3=C(C=CC(=C3)Cl)Cl |
Product Overview
isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438194-80-0), with molecular formula C23H27Cl2NO4S and molecular weight 483.10 g/mol. IUPAC: propan-2-yl 2-[2-(2,5-dichlorophenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.541 indicates that isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-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 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438194-80-0.
What is the molecular formula of isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C23H27Cl2NO4S.
What is the molecular weight of isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 483.10 g/mol.
Where can I buy isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-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-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[2-(2,5-dichlorophenoxy)butanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.