4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate
TL;DR: 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate (CAS 333779-62-7) is a chemical compound with molecular formula C21H14FNO2S and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 2-fluorobenzoate
Also Known As: BAS 01040033, 4-(6-methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate, BIM-0046359.P001, [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 2-fluorobenzoate, 4-(6-methylbenzothiazol-2-yl)phenyl 2-fluorobenzoate
| Molecular Formula | C21H14FNO2S |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 5.63002 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.07294 |
| Heavy Atoms | 26 |
| Complexity | 1102.6622 |
Chemical Identifiers
| CAS Number | 333779-62-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4F |
Product Overview
4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate (CAS 333779-62-7), with molecular formula C21H14FNO2S and molecular weight 363.07 g/mol. IUPAC: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 2-fluorobenzoate.
Chemical Property Profile of 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate
Property Insights of 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate
The XLogP value of 5.63002 indicates that 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate?
The CAS number of 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate is 333779-62-7.
What is the molecular formula of 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate?
The molecular formula of 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate is C21H14FNO2S.
What is the molecular weight of 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate?
The molecular weight of 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate is 363.07 g/mol.
Where can I buy 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate?
You can request a quote for 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.