1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate
TL;DR: 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate (CAS 57527-78-3) is a chemical compound with molecular formula C16H15NO3S2 and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate
Also Known As: 1-(1,3-benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate, 1- ETHYL4-METHYLBENZENESULFONATE, 1-(1,3-benzothiazol-2-yl)ethyl 4-methylbenzene-1-sulfonate, 1-(Benzo[d]thiazol-2-yl)ethyl 4-methylbenzenesulfonate, 1-(1,3-BENZOTHIAZOL-2-YL)ETHYL4-METHYLBENZENESULFONATE
| Molecular Formula | C16H15NO3S2 |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 4.07122 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.04935 |
| Heavy Atoms | 22 |
| Complexity | 865.5454 |
Chemical Identifiers
| CAS Number | 57527-78-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2=NC3=CC=CC=C3S2 |
Product Overview
1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate (CAS 57527-78-3), with molecular formula C16H15NO3S2 and molecular weight 333.05 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate
Property Insights of 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate
The XLogP value of 4.07122 indicates that 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate 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 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate?
The CAS number of 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate is 57527-78-3.
What is the molecular formula of 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate?
The molecular formula of 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate is C16H15NO3S2.
What is the molecular weight of 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate?
The molecular weight of 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate is 333.05 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate?
You can request a quote for 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.