![2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate structure](/static/products/6227/622798-85-0.webp)
2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate
TL;DR: 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate (CAS 622798-85-0) is a chemical compound with molecular formula C16H16Cl2O4 and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl) 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Also Known As: 2,4-dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate, (2,4-dichlorophenyl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate, 2,4-dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate, (1S,4S)-2,4-dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
| Molecular Formula | C16H16Cl2O4 |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | 4.0207 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.04257 |
| Heavy Atoms | 22 |
| Complexity | 684.72345 |
Chemical Identifiers
| CAS Number | 622798-85-0 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)OC3=C(C=C(C=C3)Cl)Cl)C)C |
Product Overview
2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate (CAS 622798-85-0), with molecular formula C16H16Cl2O4 and molecular weight 342.04 g/mol. IUPAC: (2,4-dichlorophenyl) 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate
Property Insights of 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate
The XLogP value of 4.0207 indicates that 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate 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 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate?
The CAS number of 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate is 622798-85-0.
What is the molecular formula of 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate?
The molecular formula of 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate is C16H16Cl2O4.
What is the molecular weight of 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate?
The molecular weight of 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate is 342.04 g/mol.
Where can I buy 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate?
You can request a quote for 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorophenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.