F1166-0018
TL;DR: F1166-0018 (CAS 684231-69-4) is a chemical compound with molecular formula C25H25N3O4S2 and molecular weight 495.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
Also Known As: F1166-0018, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)benzamide, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
| Molecular Formula | C25H25N3O4S2 |
|---|---|
| Molecular Weight | 495.13 g/mol |
| LogP | 4.2975 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.12866 |
| Heavy Atoms | 34 |
| Complexity | 1391.7688 |
Chemical Identifiers
| CAS Number | 684231-69-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C |
Product Overview
F1166-0018 (CAS 684231-69-4), with molecular formula C25H25N3O4S2 and molecular weight 495.13 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of F1166-0018
Property Insights of F1166-0018
The XLogP value of 4.2975 indicates that F1166-0018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for F1166-0018. Following Lipinski's Rule of Five, F1166-0018 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 F1166-0018?
The CAS number of F1166-0018 is 684231-69-4.
What is the molecular formula of F1166-0018?
The molecular formula of F1166-0018 is C25H25N3O4S2.
What is the molecular weight of F1166-0018?
The molecular weight of F1166-0018 is 495.13 g/mol.
Where can I buy F1166-0018?
You can request a quote for F1166-0018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1166-0018?
Yes, KEHONG BIO provides custom synthesis services for F1166-0018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.