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Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate
TL;DR: Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate (CAS 325987-58-4) is a chemical compound with molecular formula C15H10BrNO2S and molecular weight 346.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 3-bromobenzoate
Also Known As: IFLab1_000561, benzo[d]thiazol-2-ylmethyl 3-bromobenzoate, 1,3-benzothiazol-2-ylmethyl 3-bromobenzoate, (1,3-benzothiazol-2-yl)methyl 3-bromobenzoate, IDI1_008780
| Molecular Formula | C15H10BrNO2S |
|---|---|
| Molecular Weight | 346.96 g/mol |
| LogP | 4.4158 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.96155 |
| Heavy Atoms | 20 |
| Complexity | 736.1643 |
Chemical Identifiers
| CAS Number | 325987-58-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC(=CC=C3)Br |
Product Overview
Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate (CAS 325987-58-4), with molecular formula C15H10BrNO2S and molecular weight 346.96 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 3-bromobenzoate.
Chemical Property Profile of Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate
Property Insights of Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate
The XLogP value of 4.4158 indicates that Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate 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 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate 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 3-bromobenzoate?
The CAS number of Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate is 325987-58-4.
What is the molecular formula of Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate?
The molecular formula of Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate is C15H10BrNO2S.
What is the molecular weight of Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate?
The molecular weight of Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate is 346.96 g/mol.
Where can I buy Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate?
You can request a quote for Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate 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 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzo[d]thiazol-2-ylmethyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.