F1166-0029
TL;DR: F1166-0029 (CAS 684231-80-9) is a chemical compound with molecular formula C27H21N3O3S2 and molecular weight 499.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzo[g][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
Also Known As: F1166-0029, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(naphtho[2,1-d]thiazol-2-yl)benzamide, N-{naphtho[2,1-d][1,3]thiazol-2-yl}-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, N-benzo[g][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide, p-{N-3-thia-5-azatricyclo[7.4.0.0(2),]trideca-1(13),2(6),4,7,9,11-hexaen-4-ylcarbamoyl}phenyl(oxo)-1,2,3,4-tetrahydro-2-isoquinolyl-lambda-sulfaniumolate
| Molecular Formula | C27H21N3O3S2 |
|---|---|
| Molecular Weight | 499.10 g/mol |
| LogP | 5.4488 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.10245 |
| Heavy Atoms | 35 |
| Complexity | 1692.5201 |
Chemical Identifiers
| CAS Number | 684231-80-9 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C6=CC=CC=C6C=C5 |
Product Overview
F1166-0029 (CAS 684231-80-9), with molecular formula C27H21N3O3S2 and molecular weight 499.10 g/mol. IUPAC: N-benzo[g][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.
Chemical Property Profile of F1166-0029
Property Insights of F1166-0029
The XLogP value of 5.4488 indicates that F1166-0029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for F1166-0029. Following Lipinski's Rule of Five, F1166-0029 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1166-0029?
The CAS number of F1166-0029 is 684231-80-9.
What is the molecular formula of F1166-0029?
The molecular formula of F1166-0029 is C27H21N3O3S2.
What is the molecular weight of F1166-0029?
The molecular weight of F1166-0029 is 499.10 g/mol.
Where can I buy F1166-0029?
You can request a quote for F1166-0029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1166-0029?
Yes, KEHONG BIO provides custom synthesis services for F1166-0029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.