1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone
TL;DR: 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone (CAS 245365-80-4) is a chemical compound with molecular formula C23H26N2OS and molecular weight 378.18 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
Also Known As: 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone, 3-(1-benzylpiperidin-4-yl)-1-(2-methyl-1,3-benzothiazol-6-yl)propan-1-one, 1-Propanone, 1-(2-methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-, (2-Methylbenzothiazol-6-yl)[2-(1-benzyl-4-piperidinyl)ethyl] ketone, 3-(1-benzyl-4-piperidyl)-1-(2-methylbenzothiazol-6-yl)propan-1-one
| Molecular Formula | C23H26N2OS |
|---|---|
| Molecular Weight | 378.18 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.17657 |
| Heavy Atoms | 27 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 245365-80-4 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4 |
| InChIKey | WUDBCFDOLSHYHH-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-(1-(phenylmethyl)-4-piperidinyl)-1-propanone (CAS 245365-80-4), with molecular formula C23H26N2OS and molecular weight 378.18 g/mol. IUPAC: 3-(1-benzylpiperidin-4-yl)-1-(2-methyl-1,3-benzothiazol-6-yl)propan-1-one.
Chemical Property Profile of 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone
Property Insights of 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone
The XLogP value of 5.0 indicates that 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone 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-(1-(phenylmethyl)-4-piperidinyl)-1-propanone. Following Lipinski's Rule of Five, 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone has 0 hydrogen bond donor(s) and 4 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 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone?
The CAS number of 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone is 245365-80-4.
What is the molecular formula of 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone?
The molecular formula of 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone is C23H26N2OS.
What is the molecular weight of 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone?
The molecular weight of 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone is 378.18 g/mol.
Where can I buy 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone?
You can request a quote for 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone 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-(1-(phenylmethyl)-4-piperidinyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-6-benzothiazolyl)-3-(1-(phenylmethyl)-4-piperidinyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.