(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate
TL;DR: (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate (CAS 871487-01-3) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate
Also Known As: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate, 1-oxo-1-(pyrrolidin-1-yl)propan-2-yl 1,3-benzothiazole-6-carboxylate
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.464 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 676.3635 |
Chemical Identifiers
| CAS Number | 871487-01-3 |
|---|---|
| SMILES | CC(C(=O)N1CCCC1)OC(=O)C2=CC3=C(C=C2)N=CS3 |
Product Overview
(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate (CAS 871487-01-3), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate
Property Insights of (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate
The XLogP value of 2.464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate. With a topological polar surface area (TPSA) of 59.5 Ų, (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate has 0 hydrogen bond donor(s) and 5 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-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate?
The CAS number of (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate is 871487-01-3.
What is the molecular formula of (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate?
The molecular formula of (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate is C15H16N2O3S.
What is the molecular weight of (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate?
The molecular weight of (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate is 304.09 g/mol.
Where can I buy (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate?
You can request a quote for (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.