(3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate
TL;DR: (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate (CAS 384372-71-8) is a chemical compound with molecular formula C27H20FNO4S and molecular weight 473.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-ylchromen-7-yl] 4-fluorobenzoate
Also Known As: (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate, [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-ylchromen-7-yl] 4-fluorobenzoate, 3-(benzo[d]thiazol-2-yl)-2-isopropyl-8-methyl-4-oxo-4H-chromen-7-yl 4-fluorobenzoate, 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(propan-2-yl)-4H-chromen-7-yl 4-fluorobenzoate
| Molecular Formula | C27H20FNO4S |
|---|---|
| Molecular Weight | 473.11 g/mol |
| LogP | 6.85982 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.1097 |
| Heavy Atoms | 34 |
| Complexity | 1583.3898 |
Chemical Identifiers
| CAS Number | 384372-71-8 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)OC(=O)C5=CC=C(C=C5)F |
Product Overview
(3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate (CAS 384372-71-8), with molecular formula C27H20FNO4S and molecular weight 473.11 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-ylchromen-7-yl] 4-fluorobenzoate.
Chemical Property Profile of (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate
Property Insights of (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate
The XLogP value of 6.85982 indicates that (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate. Following Lipinski's Rule of Five, (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate?
The CAS number of (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate is 384372-71-8.
What is the molecular formula of (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate?
The molecular formula of (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate is C27H20FNO4S.
What is the molecular weight of (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate?
The molecular weight of (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate is 473.11 g/mol.
Where can I buy (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate?
You can request a quote for (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-benzothiazol-2-yl-8-methyl-4-oxo-2-propan-2-yl-chromen-7-yl) 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.