3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
TL;DR: 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one (CAS 727709-18-4) is a chemical compound with molecular formula C21H23N3OS and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
Also Known As: 3-(1,3-benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one, 3-(benzo[d]thiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one, 3-benzothiazol-2-yl-1-(4-benzylpiperazin-1-yl)propan-1-one
| Molecular Formula | C21H23N3OS |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 3.5733 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1562 |
| Heavy Atoms | 26 |
| Complexity | 836.1083 |
Chemical Identifiers
| CAS Number | 727709-18-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC3=NC4=CC=CC=C4S3 |
Product Overview
3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one (CAS 727709-18-4), with molecular formula C21H23N3OS and molecular weight 365.16 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
Property Insights of 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
The XLogP value of 3.5733 indicates that 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one 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 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one is 727709-18-4.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one is C21H23N3OS.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one is 365.16 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)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 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.