![Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate structure](/static/products/879/879025-50-0.png)
Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate
TL;DR: Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate (CAS 879025-50-0) is a chemical compound with molecular formula C17H15NO2S2 and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
Also Known As: ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate, ethyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
| Molecular Formula | C17H15NO2S2 |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 4.7653 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.0544 |
| Heavy Atoms | 22 |
| Complexity | 747.7131 |
Chemical Identifiers
| CAS Number | 879025-50-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2 |
Product Overview
Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate (CAS 879025-50-0), with molecular formula C17H15NO2S2 and molecular weight 329.05 g/mol. IUPAC: ethyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate.
Chemical Property Profile of Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate
Property Insights of Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate
The XLogP value of 4.7653 indicates that Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate has 0 hydrogen bond donor(s) and 5 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 Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate?
The CAS number of Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate is 879025-50-0.
What is the molecular formula of Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate?
The molecular formula of Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate is C17H15NO2S2.
What is the molecular weight of Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate?
The molecular weight of Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate is 329.05 g/mol.
Where can I buy Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate?
You can request a quote for Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.