F0574-0040
TL;DR: F0574-0040 (CAS 536698-81-4) is a chemical compound with molecular formula C26H36N2O3S and molecular weight 456.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: F0574-0040, N-butyl-1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-butyl-6,7-dimethoxy-1-{[4-(propan-2-yl)phenoxy]methyl}-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide, N-butyl-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
| Molecular Formula | C26H36N2O3S |
|---|---|
| Molecular Weight | 456.24 g/mol |
| LogP | 5.48 |
| Topological Polar Surface Area | 42.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.24466 |
| Heavy Atoms | 32 |
| Complexity | 898.6902 |
Chemical Identifiers
| CAS Number | 536698-81-4 |
|---|---|
| SMILES | CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(C)C)OC)OC |
Product Overview
F0574-0040 (CAS 536698-81-4), with molecular formula C26H36N2O3S and molecular weight 456.24 g/mol. IUPAC: N-butyl-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of F0574-0040
Property Insights of F0574-0040
The XLogP value of 5.48 indicates that F0574-0040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.96 Ų, F0574-0040 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0574-0040 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0574-0040?
The CAS number of F0574-0040 is 536698-81-4.
What is the molecular formula of F0574-0040?
The molecular formula of F0574-0040 is C26H36N2O3S.
What is the molecular weight of F0574-0040?
The molecular weight of F0574-0040 is 456.24 g/mol.
Where can I buy F0574-0040?
You can request a quote for F0574-0040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0574-0040?
Yes, KEHONG BIO provides custom synthesis services for F0574-0040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.