2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester
TL;DR: 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester (CAS 405278-33-3) is a chemical compound with molecular formula C17H22N2O6S and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
Also Known As: A2497/0106190, isobutyl 2-oxo-6-(piperidin-1-ylsulfonyl)benzo[d]oxazole-3(2H)-carboxylate, 2-methylpropyl 2-oxo-6-(piperidin-1-ylsulfonyl)-1,3-benzoxazole-3(2H)-carboxylate, 2-methylpropyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate, 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester
| Molecular Formula | C17H22N2O6S |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.11984 |
| Heavy Atoms | 26 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 405278-33-3 |
|---|---|
| SMILES | CC(C)COC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)OC1=O |
| InChIKey | QORIMLQEPSTVOT-UHFFFAOYSA-N |
Product Overview
2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester (CAS 405278-33-3), with molecular formula C17H22N2O6S and molecular weight 382.12 g/mol. IUPAC: 2-methylpropyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester
Property Insights of 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester. Following Lipinski's Rule of Five, 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester has 0 hydrogen bond donor(s) and 7 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-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester?
The CAS number of 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester is 405278-33-3.
What is the molecular formula of 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester?
The molecular formula of 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester is C17H22N2O6S.
What is the molecular weight of 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester?
The molecular weight of 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester is 382.12 g/mol.
Where can I buy 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester?
You can request a quote for 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.