Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
TL;DR: Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate (CAS 105397-74-8) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
Also Known As: IFLab1_006324, IFLab2_000034, Ethyl (benzothiazol-2-yl)carbamoylacetate, IDI1_019060, ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.188 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 546.4611 |
Chemical Identifiers
| CAS Number | 105397-74-8 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=NC2=CC=CC=C2S1 |
Product Overview
Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate (CAS 105397-74-8), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
Property Insights of Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
The XLogP value of 2.188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate 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 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate?
The CAS number of Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate is 105397-74-8.
What is the molecular formula of Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate?
The molecular formula of Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate is C12H12N2O3S.
What is the molecular weight of Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate?
The molecular weight of Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate is 264.06 g/mol.
Where can I buy Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate?
You can request a quote for Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.