![3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate structure](/static/products/6184/618400-33-2.webp)
3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
TL;DR: 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate (CAS 618400-33-2) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Also Known As: 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate, (3,5-dimethylphenyl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate, 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate, (1S,4S)-3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 3.33074 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 655.4148 |
Chemical Identifiers
| CAS Number | 618400-33-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)C23CCC(C2(C)C)(C(=O)O3)C)C |
Product Overview
3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate (CAS 618400-33-2), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: (3,5-dimethylphenyl) 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Property Insights of 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
The XLogP value of 3.33074 indicates that 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate 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 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
The CAS number of 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is 618400-33-2.
What is the molecular formula of 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
The molecular formula of 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is C18H22O4.
What is the molecular weight of 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
The molecular weight of 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is 302.15 g/mol.
Where can I buy 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
You can request a quote for 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethylphenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.