![isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate structure](/static/products/4452/445233-63-6.webp)
isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
TL;DR: isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 445233-63-6) is a chemical compound with molecular formula C35H38N2O5S and molecular weight 598.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, propan-2-yl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, isopropyl 2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carboxamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methylethyl 2-[(2-(2H-benzo[d]1,3-dioxolen-5-yl)-4-quinolyl)carbonylamino]-4,5 ,6,7,8,9,10,11,12,13-decahydrocyclododeca[1,2-b]thiophene-3-carboxylate, propan-2-yl 2-({[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
| Molecular Formula | C35H38N2O5S |
|---|---|
| Molecular Weight | 598.25 g/mol |
| LogP | 8.7289 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 598.2501 |
| Heavy Atoms | 43 |
| Complexity | 1642.9961 |
Chemical Identifiers
| CAS Number | 445233-63-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6 |
Product Overview
isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 445233-63-6), with molecular formula C35H38N2O5S and molecular weight 598.25 g/mol. IUPAC: propan-2-yl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Property Insights of isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
The XLogP value of 8.7289 indicates that isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The CAS number of isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 445233-63-6.
What is the molecular formula of isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular formula of isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is C35H38N2O5S.
What is the molecular weight of isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular weight of isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 598.25 g/mol.
Where can I buy isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
You can request a quote for isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[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-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.