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1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate
TL;DR: 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate (CAS 394227-25-9) is a chemical compound with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate
Also Known As: F0737-0119, 1-(1,3-benzothiazol-2-yl)ethyl 4-(pyrrolidine-1-sulfonyl)benzoate, 1-(benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate, 1-(1,3-benzothiazol-2-yl)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate, p-[1-(1,3-benzothiazol-2-yl)ethoxycarbonyl]phenyl(oxo)-1-pyrrolidinyl-lambda-sulfaniumolate
| Molecular Formula | C20H20N2O4S2 |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 3.9988 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.08646 |
| Heavy Atoms | 28 |
| Complexity | 1067.6959 |
Chemical Identifiers
| CAS Number | 394227-25-9 |
|---|---|
| SMILES | CC(C1=NC2=CC=CC=C2S1)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate (CAS 394227-25-9), with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate.
Chemical Property Profile of 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate
Property Insights of 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate
The XLogP value of 3.9988 indicates that 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate. Following Lipinski's Rule of Five, 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate has 0 hydrogen bond donor(s) and 6 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 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
The CAS number of 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate is 394227-25-9.
What is the molecular formula of 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
The molecular formula of 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate is C20H20N2O4S2.
What is the molecular weight of 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
The molecular weight of 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate is 416.09 g/mol.
Where can I buy 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
You can request a quote for 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzo[d]thiazol-2-yl)ethyl 4-(pyrrolidin-1-ylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.