1,3-Benzothiazol-2-ylmethyl acetate
TL;DR: 1,3-Benzothiazol-2-ylmethyl acetate (CAS 33720-91-1) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl acetate
Also Known As: 1,3-benzothiazol-2-ylmethyl acetate, benzo[d]thiazol-2-ylmethyl acetate, 2-Benzothiazolemethanol, acetate (ester) (8CI,9CI)
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.3594 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 430.84488 |
Chemical Identifiers
| CAS Number | 33720-91-1 |
|---|---|
| SMILES | CC(=O)OCC1=NC2=CC=CC=C2S1 |
Product Overview
1,3-Benzothiazol-2-ylmethyl acetate (CAS 33720-91-1), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl acetate.
Chemical Property Profile of 1,3-Benzothiazol-2-ylmethyl acetate
Property Insights of 1,3-Benzothiazol-2-ylmethyl acetate
The XLogP value of 2.3594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzothiazol-2-ylmethyl acetate. With a topological polar surface area (TPSA) of 39.19 Ų, 1,3-Benzothiazol-2-ylmethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzothiazol-2-ylmethyl acetate 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 1,3-Benzothiazol-2-ylmethyl acetate?
The CAS number of 1,3-Benzothiazol-2-ylmethyl acetate is 33720-91-1.
What is the molecular formula of 1,3-Benzothiazol-2-ylmethyl acetate?
The molecular formula of 1,3-Benzothiazol-2-ylmethyl acetate is C10H9NO2S.
What is the molecular weight of 1,3-Benzothiazol-2-ylmethyl acetate?
The molecular weight of 1,3-Benzothiazol-2-ylmethyl acetate is 207.04 g/mol.
Where can I buy 1,3-Benzothiazol-2-ylmethyl acetate?
You can request a quote for 1,3-Benzothiazol-2-ylmethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazol-2-ylmethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazol-2-ylmethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.