Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
TL;DR: Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate (CAS 405278-32-2) 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.
butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
Also Known As: A2496/0106189, butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate, 2-keto-6-piperidinosulfonyl-1,3-benzoxazole-3-carboxylic acid butyl ester, 2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid butyl ester, butyl 2-oxo-6-(piperidin-1-ylsulfonyl)-1,3-benzoxazole-3(2H)-carboxylate
| 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 | 6 |
| Exact Mass | 382.11984 |
| Heavy Atoms | 26 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 405278-32-2 |
|---|---|
| SMILES | CCCCOC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)OC1=O |
| InChIKey | NQUPVPHSIRRVMC-UHFFFAOYSA-N |
Product Overview
Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate (CAS 405278-32-2), with molecular formula C17H22N2O6S and molecular weight 382.12 g/mol. IUPAC: butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
Property Insights of Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate. Following Lipinski's Rule of Five, Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate 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 Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
The CAS number of Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate is 405278-32-2.
What is the molecular formula of Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
The molecular formula of Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate is C17H22N2O6S.
What is the molecular weight of Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
The molecular weight of Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate is 382.12 g/mol.
Where can I buy Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
You can request a quote for Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.