Benzisothiazole der.
TL;DR: Benzisothiazole der. (CAS 183136-12-1) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-tert-butylcarbamate
Also Known As: Benzisothiazole der., (1,1-Dimethylethyl)carbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester, 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-tert-butylcarbamate, 2-(3-Oxo-1,2-benzothiazol-2(3H)-yl)ethyl hydrogen tert-butylcarbonimidate, 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)ethyl N-tert-butylcarbamate
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 183136-12-1 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OCCN1C(=O)C2=CC=CC=C2S1 |
| InChIKey | WZZYCYUKDAFNOZ-UHFFFAOYSA-N |
Product Overview
Benzisothiazole der. (CAS 183136-12-1), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-tert-butylcarbamate.
Chemical Property Profile of Benzisothiazole der.
Property Insights of Benzisothiazole der.
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzisothiazole der.. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzisothiazole der.. Following Lipinski's Rule of Five, Benzisothiazole der. has 1 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 Benzisothiazole der.?
The CAS number of Benzisothiazole der. is 183136-12-1.
What is the molecular formula of Benzisothiazole der.?
The molecular formula of Benzisothiazole der. is C14H18N2O3S.
What is the molecular weight of Benzisothiazole der.?
The molecular weight of Benzisothiazole der. is 294.10 g/mol.
Where can I buy Benzisothiazole der.?
You can request a quote for Benzisothiazole der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzisothiazole der.?
Yes, KEHONG BIO provides custom synthesis services for Benzisothiazole der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.