N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine
TL;DR: N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine (CAS 84859-08-5) is a chemical compound with molecular formula C13H15N3S and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine
Also Known As: (Z)-N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine
| Molecular Formula | C13H15N3S |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 3.442 |
| Topological Polar Surface Area | 28.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.09866 |
| Heavy Atoms | 17 |
| Complexity | 525.54486 |
Chemical Identifiers
| CAS Number | 84859-08-5 |
|---|---|
| SMILES | CCN1CCCC1=NC2=NC3=CC=CC=C3S2 |
Product Overview
N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine (CAS 84859-08-5), with molecular formula C13H15N3S and molecular weight 245.10 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine
Property Insights of N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine
The XLogP value of 3.442 indicates that N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.49 Ų, N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine has 0 hydrogen bond donor(s) and 3 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 N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine?
The CAS number of N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine is 84859-08-5.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine?
The molecular formula of N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine is C13H15N3S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine?
The molecular weight of N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine is 245.10 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine?
You can request a quote for N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.