2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one
TL;DR: 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one (CAS 313251-20-6) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
Also Known As: ChemDiv3_014979, 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one, BAS 00990489, 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one, 2-piperidyl-4,5,6-trihydrobenzothiazol-7-one
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 313251-20-6 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC3=C(S2)C(=O)CCC3 |
| InChIKey | WKSFZARTVKRYDQ-UHFFFAOYSA-N |
Product Overview
2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one (CAS 313251-20-6), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one.
Chemical Property Profile of 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one
Property Insights of 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one. Following Lipinski's Rule of Five, 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one has 0 hydrogen bond donor(s) and 4 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 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one?
The CAS number of 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one is 313251-20-6.
What is the molecular formula of 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one?
The molecular formula of 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one is C12H16N2OS.
What is the molecular weight of 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one?
The molecular weight of 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one is 236.10 g/mol.
Where can I buy 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one?
You can request a quote for 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.