![isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/3537/353766-99-1.webp)
isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 353766-99-1) is a chemical compound with molecular formula C22H27NO4S and molecular weight 401.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, propan-2-yl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, propan-2-yl 2-{[(2-ethoxyphenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C22H27NO4S |
|---|---|
| Molecular Weight | 401.17 g/mol |
| LogP | 5.2332 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.16608 |
| Heavy Atoms | 28 |
| Complexity | 856.2168 |
Chemical Identifiers
| CAS Number | 353766-99-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC(C)C |
Product Overview
isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 353766-99-1), with molecular formula C22H27NO4S and molecular weight 401.17 g/mol. IUPAC: propan-2-yl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 5.2332 indicates that isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 353766-99-1.
What is the molecular formula of isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C22H27NO4S.
What is the molecular weight of isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 401.17 g/mol.
Where can I buy isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.