![Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate structure](/static/products/6251/6251-18-9.webp)
Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate
TL;DR: Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate (CAS 6251-18-9) is a chemical compound with molecular formula C22H29N3O6S2 and molecular weight 495.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethyl-2-[2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate
Also Known As: Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate, ethyl 3-ethyl-2-[2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate, ETHYL 3-ETHYL-2-[2-[2-(2-METHYL-PIPERIDIN-1-YL)-2-OXO-ETHYL]SULFONYLACETYL]IMINO-BENZO[D]THIAZOLE-6-CARBOXYLATE
| Molecular Formula | C22H29N3O6S2 |
|---|---|
| Molecular Weight | 495.15 g/mol |
| LogP | 2.1425 |
| Topological Polar Surface Area | 115.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.14978 |
| Heavy Atoms | 33 |
| Complexity | 1228.4722 |
Chemical Identifiers
| CAS Number | 6251-18-9 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCC3C |
Product Overview
Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate (CAS 6251-18-9), with molecular formula C22H29N3O6S2 and molecular weight 495.15 g/mol. IUPAC: ethyl 3-ethyl-2-[2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate
Property Insights of Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.1425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate. The TPSA of 115.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate has 0 hydrogen bond donor(s) and 7 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 (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
The CAS number of Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate is 6251-18-9.
What is the molecular formula of Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
The molecular formula of Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate is C22H29N3O6S2.
What is the molecular weight of Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
The molecular weight of Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate is 495.15 g/mol.
Where can I buy Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
You can request a quote for Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2Z)-3-ethyl-2-({[2-(2-methylpiperidin-1-yl)-2-oxoethanesulfonyl]acetyl}imino)-2,3-dihydro-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.