![N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide structure](/static/products/578/578003-80-2.png)
N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide
TL;DR: N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide (CAS 578003-80-2) is a chemical compound with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide
Also Known As: N-(2-(isobutylthio)benzo[d]thiazol-6-yl)-3-phenylpropanamide, N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide, N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide
| Molecular Formula | C20H22N2OS2 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 5.6157 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.11737 |
| Heavy Atoms | 25 |
| Complexity | 843.28326 |
Chemical Identifiers
| CAS Number | 578003-80-2 |
|---|---|
| SMILES | CC(C)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3 |
Product Overview
N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide (CAS 578003-80-2), with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol. IUPAC: N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide.
Chemical Property Profile of N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide
Property Insights of N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide
The XLogP value of 5.6157 indicates that N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide?
The CAS number of N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide is 578003-80-2.
What is the molecular formula of N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide?
The molecular formula of N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide is C20H22N2OS2.
What is the molecular weight of N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide?
The molecular weight of N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide is 370.12 g/mol.
Where can I buy N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide?
You can request a quote for N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-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-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.