![isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/7232/723252-68-4.webp)
isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 723252-68-4) is a chemical compound with molecular formula C20H21F2NO4S and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[3-(difluoromethoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[[3-(difluoromethoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(3-(difluoromethoxy)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propan-2-yl 2-({[3-(difluoromethoxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H21F2NO4S |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 5.0458 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.11594 |
| Heavy Atoms | 28 |
| Complexity | 879.0858 |
Chemical Identifiers
| CAS Number | 723252-68-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)OC(F)F |
Product Overview
isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 723252-68-4), with molecular formula C20H21F2NO4S and molecular weight 409.12 g/mol. IUPAC: propan-2-yl 2-[[3-(difluoromethoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.0458 indicates that isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-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-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-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-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 723252-68-4.
What is the molecular formula of isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C20H21F2NO4S.
What is the molecular weight of isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 409.12 g/mol.
Where can I buy isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-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-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[3-(difluoromethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.