2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate
TL;DR: 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate (CAS 329267-80-3) is a chemical compound with molecular formula C17H18O4 and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-oxopyran-3-yl) 4-tert-butylbenzoate
Also Known As: IFLab1_002099, 2-methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate, (2-methyl-4-oxopyran-3-yl) 4-tert-butylbenzoate, 2-methyl-4-oxo-4H-pyran-3-yl 4-(tert-butyl)benzoate, F0499-0013
| Molecular Formula | C17H18O4 |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 3.46492 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.1205 |
| Heavy Atoms | 21 |
| Complexity | 702.80536 |
Chemical Identifiers
| CAS Number | 329267-80-3 |
|---|---|
| SMILES | CC1=C(C(=O)C=CO1)OC(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate (CAS 329267-80-3), with molecular formula C17H18O4 and molecular weight 286.12 g/mol. IUPAC: (2-methyl-4-oxopyran-3-yl) 4-tert-butylbenzoate.
Chemical Property Profile of 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate
Property Insights of 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate
The XLogP value of 3.46492 indicates that 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate 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-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate?
The CAS number of 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate is 329267-80-3.
What is the molecular formula of 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate?
The molecular formula of 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate is C17H18O4.
What is the molecular weight of 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate?
The molecular weight of 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate is 286.12 g/mol.
Where can I buy 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate?
You can request a quote for 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-oxopyran-3-yl 4-(tert-butyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.