![Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate structure](/static/products/1164/1164503-63-2.webp)
Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
TL;DR: Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate (CAS 1164503-63-2) is a chemical compound with molecular formula C16H18N2O5S2 and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
Also Known As: ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate, ethyl 2-[(2Z)-2-{[2-(acetylsulfanyl)acetyl]imino}-6-methoxy-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-ethyl 2-(2-((2-(acetylthio)acetyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate, ethyl [(2Z)-2-{[(acetylthio)acetyl]imino}-6-methoxy-1,3-benzothiazol-3(2H)-yl]acetate
| Molecular Formula | C16H18N2O5S2 |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 1.9815 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.0657 |
| Heavy Atoms | 25 |
| Complexity | 869.0225 |
Chemical Identifiers
| CAS Number | 1164503-63-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSC(=O)C |
Product Overview
Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate (CAS 1164503-63-2), with molecular formula C16H18N2O5S2 and molecular weight 382.07 g/mol. IUPAC: ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
Property Insights of Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
The XLogP value of 1.9815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate 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 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate?
The CAS number of Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate is 1164503-63-2.
What is the molecular formula of Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate is C16H18N2O5S2.
What is the molecular weight of Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate is 382.07 g/mol.
Where can I buy Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]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-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.