F0574-0299
TL;DR: F0574-0299 (CAS 536700-95-5) is a chemical compound with molecular formula C26H34N2O5S and molecular weight 486.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
Also Known As: F0574-0299, ethyl 4-{[2-(butylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate, ethyl 4-((2-(butylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate, ethyl 4-[[2-(butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate, Ethyl 4-[[2-(butylthiocarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
| Molecular Formula | C26H34N2O5S |
|---|---|
| Molecular Weight | 486.22 g/mol |
| LogP | 4.5333 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.21884 |
| Heavy Atoms | 34 |
| Complexity | 979.9014 |
Chemical Identifiers
| CAS Number | 536700-95-5 |
|---|---|
| SMILES | CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(=O)OCC)OC)OC |
Product Overview
F0574-0299 (CAS 536700-95-5), with molecular formula C26H34N2O5S and molecular weight 486.22 g/mol. IUPAC: ethyl 4-[[2-(butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate.
Chemical Property Profile of F0574-0299
Property Insights of F0574-0299
The XLogP value of 4.5333 indicates that F0574-0299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F0574-0299. Following Lipinski's Rule of Five, F0574-0299 has 1 hydrogen bond donor(s) and 6 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 F0574-0299?
The CAS number of F0574-0299 is 536700-95-5.
What is the molecular formula of F0574-0299?
The molecular formula of F0574-0299 is C26H34N2O5S.
What is the molecular weight of F0574-0299?
The molecular weight of F0574-0299 is 486.22 g/mol.
Where can I buy F0574-0299?
You can request a quote for F0574-0299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0574-0299?
Yes, KEHONG BIO provides custom synthesis services for F0574-0299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.