Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate
TL;DR: Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate (CAS 3452-73-1) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
Also Known As: Sch 18099, ethyl (6-ethoxy-1,3-benzothiazol-2-yl)carbamate, ethyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate, Ethyl-6-ethoxybenzothiazole-2-carbamate, (6-Ethoxybenzothiazol-2-yl)carbamic acid ethyl ester
| Molecular Formula | C12H14N2O3S |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.0725 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 3452-73-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)OCC |
| InChIKey | IOVKGYFVWSODCN-UHFFFAOYSA-N |
Product Overview
Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate (CAS 3452-73-1), with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol. IUPAC: ethyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate.
Chemical Property Profile of Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate
Property Insights of Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate
The XLogP value of 3.4 indicates that Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate. Following Lipinski's Rule of Five, Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate has 1 hydrogen bond donor(s) and 5 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 Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate?
The CAS number of Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate is 3452-73-1.
What is the molecular formula of Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate?
The molecular formula of Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate is C12H14N2O3S.
What is the molecular weight of Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate?
The molecular weight of Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate is 266.07 g/mol.
Where can I buy Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate?
You can request a quote for Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(6-ethoxy-2-benzothiazolyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.