A2041/0085812
TL;DR: A2041/0085812 (CAS 312536-54-2) is a chemical compound with molecular formula C24H21FN2O4S and molecular weight 452.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] 2-fluorobenzoate
Also Known As: A2041/0085812, 4-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)-2-isopropyl-5-methylphenyl 2-fluorobenzoate, [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] 2-fluorobenzoate, 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl 2-fluorobenzoate, 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenyl 2-fluorobenzoate
| Molecular Formula | C24H21FN2O4S |
|---|---|
| Molecular Weight | 452.12 g/mol |
| LogP | 5.03772 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.1206 |
| Heavy Atoms | 32 |
| Complexity | 1364.1622 |
Chemical Identifiers
| CAS Number | 312536-54-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1NC2=NS(=O)(=O)C3=CC=CC=C32)C(C)C)OC(=O)C4=CC=CC=C4F |
Product Overview
A2041/0085812 (CAS 312536-54-2), with molecular formula C24H21FN2O4S and molecular weight 452.12 g/mol. IUPAC: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] 2-fluorobenzoate.
Chemical Property Profile of A2041/0085812
Property Insights of A2041/0085812
The XLogP value of 5.03772 indicates that A2041/0085812 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for A2041/0085812. Following Lipinski's Rule of Five, A2041/0085812 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 A2041/0085812?
The CAS number of A2041/0085812 is 312536-54-2.
What is the molecular formula of A2041/0085812?
The molecular formula of A2041/0085812 is C24H21FN2O4S.
What is the molecular weight of A2041/0085812?
The molecular weight of A2041/0085812 is 452.12 g/mol.
Where can I buy A2041/0085812?
You can request a quote for A2041/0085812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2041/0085812?
Yes, KEHONG BIO provides custom synthesis services for A2041/0085812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.