4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
TL;DR: 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole (CAS 863000-85-5) is a chemical compound with molecular formula C11H11ClN2S and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
Also Known As: ChemDiv3_009745, 4-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole, IDI1_027655, 4-chloro-2-(pyrrolidin-1-yl)-1,3-benzothiazole, Benzothiazole, 4-chloro-2-(1-pyrrolidinyl)-
| Molecular Formula | C11H11ClN2S |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 3.5499 |
| Topological Polar Surface Area | 16.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.03314 |
| Heavy Atoms | 15 |
| Complexity | 488.2936 |
Chemical Identifiers
| CAS Number | 863000-85-5 |
|---|---|
| SMILES | C1CCN(C1)C2=NC3=C(S2)C=CC=C3Cl |
Product Overview
4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole (CAS 863000-85-5), with molecular formula C11H11ClN2S and molecular weight 238.03 g/mol. IUPAC: 4-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole.
Chemical Property Profile of 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
Property Insights of 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
The XLogP value of 3.5499 indicates that 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.13 Ų, 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole 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 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The CAS number of 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole is 863000-85-5.
What is the molecular formula of 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The molecular formula of 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole is C11H11ClN2S.
What is the molecular weight of 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The molecular weight of 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole is 238.03 g/mol.
Where can I buy 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
You can request a quote for 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.