![Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate structure](/static/products/880/880072-93-5.png)
Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
TL;DR: Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate (CAS 880072-93-5) is a chemical compound with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
Also Known As: ASN 13828467, ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate, ethyl 1-(2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)piperidine-3-carboxylate, ethyl 1-[(N-benzothiazol-2-ylcarbamoyl)methyl]piperidine-3-carboxylate, 1-(Benzothiazol-2-ylcarbamoylmethyl)-piperidine-3-carboxylic acid ethyl ester
| Molecular Formula | C17H21N3O3S |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 2.5099 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.13037 |
| Heavy Atoms | 24 |
| Complexity | 697.694 |
Chemical Identifiers
| CAS Number | 880072-93-5 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)CC(=O)NC2=NC3=CC=CC=C3S2 |
Product Overview
Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate (CAS 880072-93-5), with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol. IUPAC: ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
Property Insights of Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
The XLogP value of 2.5099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate?
The CAS number of Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate is 880072-93-5.
What is the molecular formula of Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate?
The molecular formula of Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate is C17H21N3O3S.
What is the molecular weight of Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate?
The molecular weight of Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate is 347.13 g/mol.
Where can I buy Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate?
You can request a quote for Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.