ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate
TL;DR: ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate (CAS 1135-31-5) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate
Also Known As: ethyl 1,2-benzothiazol-3-ylcarbamate, ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate, ethyl(3-methoxy-1,2-benzothiazol-5-yl)carbamate, Ethyl hydrogen (3-methoxy-1,2-benzothiazol-5-yl)carbonimidate, Carbamic acid, (3-methoxy-1,2-benzisothiazol-5-yl)-, ethyl ester
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 1135-31-5 |
|---|---|
| SMILES | CCOC(=O)NC1=CC2=C(C=C1)SN=C2OC |
| InChIKey | FFJBYFLURUROFM-UHFFFAOYSA-N |
Product Overview
ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate (CAS 1135-31-5), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate.
Chemical Property Profile of ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate
Property Insights of ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate. Following Lipinski's Rule of Five, ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)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-(3-methoxy-1,2-benzothiazol-5-yl)carbamate?
The CAS number of ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate is 1135-31-5.
What is the molecular formula of ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate?
The molecular formula of ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate is C11H12N2O3S.
What is the molecular weight of ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate?
The molecular weight of ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate is 252.06 g/mol.
Where can I buy ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate?
You can request a quote for ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)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-(3-methoxy-1,2-benzothiazol-5-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(3-methoxy-1,2-benzothiazol-5-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.