F0529-0800
TL;DR: F0529-0800 (CAS 477212-00-3) is a chemical compound with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: F0529-0800, N-(5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzo[d][1,3]dioxole-5-carboxamide, N-(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide, N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C21H18N4O4S2 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 3.5906 |
| Topological Polar Surface Area | 93.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.07693 |
| Heavy Atoms | 31 |
| Complexity | 1149.9133 |
Chemical Identifiers
| CAS Number | 477212-00-3 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
F0529-0800 (CAS 477212-00-3), with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol. IUPAC: N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of F0529-0800
Property Insights of F0529-0800
The XLogP value of 3.5906 indicates that F0529-0800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.65 Ų falls within the moderate polarity range, balancing permeability and solubility for F0529-0800. Following Lipinski's Rule of Five, F0529-0800 has 1 hydrogen bond donor(s) and 8 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 F0529-0800?
The CAS number of F0529-0800 is 477212-00-3.
What is the molecular formula of F0529-0800?
The molecular formula of F0529-0800 is C21H18N4O4S2.
What is the molecular weight of F0529-0800?
The molecular weight of F0529-0800 is 454.08 g/mol.
Where can I buy F0529-0800?
You can request a quote for F0529-0800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-0800?
Yes, KEHONG BIO provides custom synthesis services for F0529-0800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.