Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
TL;DR: Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester (CAS 183136-09-6) 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-butylcarbamate
Also Known As: Benzisothiazole der., 3-Pyridinamine,N-methyl-N-phenyl, 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-butylcarbamate, Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester, 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)ethyl N-butylcarbamate
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 183136-09-6 |
|---|---|
| SMILES | CCCCNC(=O)OCCN1C(=O)C2=CC=CC=C2S1 |
| InChIKey | GQPNTDMKAUSPIB-UHFFFAOYSA-N |
Product Overview
Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester (CAS 183136-09-6), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-butylcarbamate.
Chemical Property Profile of Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
Property Insights of Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylcarbamic 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 Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester. Following Lipinski's Rule of Five, Butylcarbamic 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 Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
The CAS number of Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester is 183136-09-6.
What is the molecular formula of Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
The molecular formula of Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester is C14H18N2O3S.
What is the molecular weight of Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
The molecular weight of Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester is 294.10 g/mol.
Where can I buy Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
You can request a quote for Butylcarbamic 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 Butylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butylcarbamic 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.