1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one
TL;DR: 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one (CAS 149292-56-8) is a chemical compound with molecular formula C23H27ClN2OS and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzylpiperidin-4-yl)-1-(2-methyl-1,3-benzothiazol-6-yl)propan-1-one;hydrochloride
Also Known As: Mebbpp, 2-amino-5-nitrobenzenesulfinic acid, Benzenesulfinic acid,2-amino-5-nitro, 1-(2-METHYL-6-BENZOTHIAZOLYL)-3-(N-BENZYL-4-PIPERIDINYL)PROPAN-1-ONE, 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one HCl
| Molecular Formula | C23H27ClN2OS |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 5.90162 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.15326 |
| Heavy Atoms | 28 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 149292-56-8 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4.Cl |
| InChIKey | JCRRTHOBVNDWLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one (CAS 149292-56-8), with molecular formula C23H27ClN2OS and molecular weight 414.15 g/mol. IUPAC: 3-(1-benzylpiperidin-4-yl)-1-(2-methyl-1,3-benzothiazol-6-yl)propan-1-one;hydrochloride.
Chemical Property Profile of 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one
Property Insights of 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one
The XLogP value of 5.90162 indicates that 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one. Following Lipinski's Rule of Five, 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one 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 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one?
The CAS number of 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one is 149292-56-8.
What is the molecular formula of 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one?
The molecular formula of 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one is C23H27ClN2OS.
What is the molecular weight of 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one?
The molecular weight of 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one is 414.15 g/mol.
Where can I buy 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one?
You can request a quote for 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.