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N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide
TL;DR: N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide (CAS 349537-45-7) is a chemical compound with molecular formula C17H16N2O3S2 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
Also Known As: BAS 00854197, BIM-0008345.P001, N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide, N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-3-phenylpropanamide, N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
| Molecular Formula | C17H16N2O3S2 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 3.2711 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.06024 |
| Heavy Atoms | 24 |
| Complexity | 979.4981 |
Chemical Identifiers
| CAS Number | 349537-45-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CC=CC=C3 |
Product Overview
N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide (CAS 349537-45-7), with molecular formula C17H16N2O3S2 and molecular weight 360.06 g/mol. IUPAC: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide.
Chemical Property Profile of N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide
Property Insights of N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide
The XLogP value of 3.2711 indicates that N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide. Following Lipinski's Rule of Five, N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide 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-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide?
The CAS number of N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide is 349537-45-7.
What is the molecular formula of N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide?
The molecular formula of N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide is C17H16N2O3S2.
What is the molecular weight of N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide?
The molecular weight of N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide is 360.06 g/mol.
Where can I buy N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide?
You can request a quote for N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[6-(methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.