2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone
TL;DR: 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone (CAS 403833-10-3) is a chemical compound with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone
Also Known As: IFLab1_004513, IDI1_010268, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(pyrrolidin-1-yl)ethanone, F1016-0016
| Molecular Formula | C13H14N2OS2 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 3.0108 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.05475 |
| Heavy Atoms | 18 |
| Complexity | 527.8715 |
Chemical Identifiers
| CAS Number | 403833-10-3 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3S2 |
Product Overview
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone (CAS 403833-10-3), with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone
Property Insights of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone
The XLogP value of 3.0108 indicates that 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone 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 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
The CAS number of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone is 403833-10-3.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
The molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone is C13H14N2OS2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
The molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone is 278.05 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
You can request a quote for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.