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Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate
TL;DR: Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate (CAS 325987-53-9) is a chemical compound with molecular formula C16H13NO2S and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 4-methylbenzoate
Also Known As: IFLab1_000517, (1,3-benzothiazol-2-yl)methyl 4-methylbenzoate, benzo[d]thiazol-2-ylmethyl 4-methylbenzoate, IDI1_008736, 1,3-benzothiazol-2-ylmethyl 4-methylbenzoate
| Molecular Formula | C16H13NO2S |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 3.96172 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0667 |
| Heavy Atoms | 20 |
| Complexity | 713.5177 |
Chemical Identifiers
| CAS Number | 325987-53-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2 |
Product Overview
Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate (CAS 325987-53-9), with molecular formula C16H13NO2S and molecular weight 283.07 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 4-methylbenzoate.
Chemical Property Profile of Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate
Property Insights of Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate
The XLogP value of 3.96172 indicates that Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate?
The CAS number of Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate is 325987-53-9.
What is the molecular formula of Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate?
The molecular formula of Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate is C16H13NO2S.
What is the molecular weight of Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate?
The molecular weight of Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate is 283.07 g/mol.
Where can I buy Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate?
You can request a quote for Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate 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-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzo[d]thiazol-2-ylmethyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.