N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
TL;DR: N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 643002-70-4) is a chemical compound with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06742244, UPCMLD0ENAT5724522:001, N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[2-(phenylsulfanyl)ethyl]acetamide, N-(2-Phenylsulfanyl-ethyl)-2-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-acetamide
| Molecular Formula | C17H16N2O4S2 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.05515 |
| Heavy Atoms | 25 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 643002-70-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
| InChIKey | TWGQMCUVOCVDNJ-UHFFFAOYSA-N |
Product Overview
N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 643002-70-4), with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol. IUPAC: N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Property Insights of N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 5 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 N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The CAS number of N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 643002-70-4.
What is the molecular formula of N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular formula of N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is C17H16N2O4S2.
What is the molecular weight of N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular weight of N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 376.06 g/mol.
Where can I buy N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
You can request a quote for N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.