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Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate
TL;DR: Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate (CAS 391228-57-2) is a chemical compound with molecular formula C21H15NO3S and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 4-phenoxybenzoate
Also Known As: benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate, (1,3-benzothiazol-2-yl)methyl 4-phenoxybenzoate, 1,3-benzothiazol-2-ylmethyl 4-phenoxybenzoate, F0193-0082
| Molecular Formula | C21H15NO3S |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 5.4456 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.07727 |
| Heavy Atoms | 26 |
| Complexity | 993.0169 |
Chemical Identifiers
| CAS Number | 391228-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3 |
Product Overview
Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate (CAS 391228-57-2), with molecular formula C21H15NO3S and molecular weight 361.08 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 4-phenoxybenzoate.
Chemical Property Profile of Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate
Property Insights of Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate
The XLogP value of 5.4456 indicates that Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate has 0 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 Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate?
The CAS number of Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate is 391228-57-2.
What is the molecular formula of Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate?
The molecular formula of Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate is C21H15NO3S.
What is the molecular weight of Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate?
The molecular weight of Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate is 361.08 g/mol.
Where can I buy Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate?
You can request a quote for Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzo[d]thiazol-2-ylmethyl 4-phenoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.