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Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate
TL;DR: Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 1164516-63-5) is a chemical compound with molecular formula C14H14N2O4S2 and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate
Also Known As: methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-2-{[2-(acetylsulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-methyl 2-(2-((2-(acetylthio)acetyl)imino)benzo[d]thiazol-3(2H)-yl)acetate, 2-[2-[2-(acetylthio)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester, 2-[2-[2-(acetylthio)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
| Molecular Formula | C14H14N2O4S2 |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 1.5828 |
| Topological Polar Surface Area | 77.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0395 |
| Heavy Atoms | 22 |
| Complexity | 791.4819 |
Chemical Identifiers
| CAS Number | 1164516-63-5 |
|---|---|
| SMILES | CC(=O)SCC(=O)N=C1N(C2=CC=CC=C2S1)CC(=O)OC |
Product Overview
Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate (CAS 1164516-63-5), with molecular formula C14H14N2O4S2 and molecular weight 338.04 g/mol. IUPAC: methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate
Property Insights of Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate
The XLogP value of 1.5828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate. The TPSA of 77.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate has 0 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 Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate?
The CAS number of Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate is 1164516-63-5.
What is the molecular formula of Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate is C14H14N2O4S2.
What is the molecular weight of Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate is 338.04 g/mol.
Where can I buy Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Methyl 2-[2-(2-acetylsulfanylacetyl)imino-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 Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-(2-acetylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.