4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole
TL;DR: 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole (CAS 252866-96-9) is a chemical compound with molecular formula C11H10Cl2N2S and molecular weight 271.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole
Also Known As: 4,6-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole, 4,6-dichloro-2-(pyrrolidin-1-yl)benzo[d]thiazole, 4,6-dichloro-2-pyrrolidino-1,3-benzothiazole, 4,6-dichloro-2-tetrahydro-1H-pyrrol-1-yl-1,3-benzothiazole, 4,6-dichloro-2-(1-pyrrolidinyl)-1,3-benzothiazole
| Molecular Formula | C11H10Cl2N2S |
|---|---|
| Molecular Weight | 271.99 g/mol |
| LogP | 4.2033 |
| Topological Polar Surface Area | 16.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.99417 |
| Heavy Atoms | 16 |
| Complexity | 532.0092 |
Chemical Identifiers
| CAS Number | 252866-96-9 |
|---|---|
| SMILES | C1CCN(C1)C2=NC3=C(S2)C=C(C=C3Cl)Cl |
Product Overview
4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole (CAS 252866-96-9), with molecular formula C11H10Cl2N2S and molecular weight 271.99 g/mol. IUPAC: 4,6-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole.
Chemical Property Profile of 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole
Property Insights of 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole
The XLogP value of 4.2033 indicates that 4,6-Dichloro-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, 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloro-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 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The CAS number of 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole is 252866-96-9.
What is the molecular formula of 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The molecular formula of 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole is C11H10Cl2N2S.
What is the molecular weight of 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The molecular weight of 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole is 271.99 g/mol.
Where can I buy 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
You can request a quote for 4,6-Dichloro-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 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.