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Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate
TL;DR: Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate (CAS 403836-17-9) is a chemical compound with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylacetate
Also Known As: ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate, F1016-0457, ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylacetate, ethyl [(N-1,3-benzothiazol-2-ylcarbamoyl)methylthio]acetate, ETHYL 2-({[(1,3-BENZOTHIAZOL-2-YL)CARBAMOYL]METHYL}SULFANYL)ACETATE
| Molecular Formula | C13H14N2O3S2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 2.5311 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.0446 |
| Heavy Atoms | 20 |
| Complexity | 579.437 |
Chemical Identifiers
| CAS Number | 403836-17-9 |
|---|---|
| SMILES | CCOC(=O)CSCC(=O)NC1=NC2=CC=CC=C2S1 |
Product Overview
Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate (CAS 403836-17-9), with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol. IUPAC: ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate
Property Insights of Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate
The XLogP value of 2.5311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate 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 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate?
The CAS number of Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate is 403836-17-9.
What is the molecular formula of Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate?
The molecular formula of Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate is C13H14N2O3S2.
What is the molecular weight of Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate?
The molecular weight of Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate is 310.04 g/mol.
Where can I buy Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate?
You can request a quote for Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.