Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
TL;DR: Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester (CAS 183136-05-2) is a chemical compound with molecular formula C13H16N2O3S and molecular weight 280.09 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-propylcarbamate
Also Known As: Benzisothiazole der., 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-propylcarbamate, Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester, 2-(3-Oxo-1,2-benzothiazol-2(3H)-yl)ethyl hydrogen propylcarbonimidate, 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)ethyl N-propylcarbamate
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 183136-05-2 |
|---|---|
| SMILES | CCCNC(=O)OCCN1C(=O)C2=CC=CC=C2S1 |
| InChIKey | BEOYBNKXIOHHHH-UHFFFAOYSA-N |
Product Overview
Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester (CAS 183136-05-2), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-propylcarbamate.
Chemical Property Profile of Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
Property Insights of Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester. Following Lipinski's Rule of Five, Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester 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 Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
The CAS number of Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester is 183136-05-2.
What is the molecular formula of Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
The molecular formula of Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester is C13H16N2O3S.
What is the molecular weight of Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
The molecular weight of Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester is 280.09 g/mol.
Where can I buy Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
You can request a quote for Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.