2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
TL;DR: 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate (CAS 5734-60-1) is a chemical compound with molecular formula C24H23NO5S and molecular weight 437.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
Also Known As: 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate, 2-Phenoxyethyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzoate
| Molecular Formula | C24H23NO5S |
|---|---|
| Molecular Weight | 437.13 g/mol |
| LogP | 3.6694 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.1297 |
| Heavy Atoms | 31 |
| Complexity | 1161.3519 |
Chemical Identifiers
| CAS Number | 5734-60-1 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCCOC4=CC=CC=C4 |
Product Overview
2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate (CAS 5734-60-1), with molecular formula C24H23NO5S and molecular weight 437.13 g/mol. IUPAC: 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate.
Chemical Property Profile of 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
Property Insights of 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
The XLogP value of 3.6694 indicates that 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate. Following Lipinski's Rule of Five, 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
The CAS number of 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate is 5734-60-1.
What is the molecular formula of 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
The molecular formula of 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate is C24H23NO5S.
What is the molecular weight of 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
The molecular weight of 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate is 437.13 g/mol.
Where can I buy 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
You can request a quote for 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-phenoxyethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.