2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
TL;DR: 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester (CAS 199172-75-3) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 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-prop-2-enylcarbamate
Also Known As: 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester, 2-Propenal-carbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester, 2-(3-Oxo-1,2-benzothiazol-2(3H)-yl)ethyl hydrogen prop-2-en-1-ylcarbonimidate, 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)ethyl N-(prop-2-en-1-yl)carbamate, 2-(9-oxo-7-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)ethyl N-prop-2-enylcarbamate
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 1.9752 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 644.6209 |
Chemical Identifiers
| CAS Number | 199172-75-3 |
|---|---|
| SMILES | C=CCNC(=O)OCCN1C(=O)C2=CC=CC=C2S1 |
Product Overview
2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester (CAS 199172-75-3), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-prop-2-enylcarbamate.
Chemical Property Profile of 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
Property Insights of 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
The XLogP value of 1.9752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester. Following Lipinski's Rule of Five, 2-Propenylcarbamic 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 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
The CAS number of 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester is 199172-75-3.
What is the molecular formula of 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
The molecular formula of 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester is C13H14N2O3S.
What is the molecular weight of 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
The molecular weight of 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester is 278.07 g/mol.
Where can I buy 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
You can request a quote for 2-Propenylcarbamic 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 2-Propenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenylcarbamic 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.