![4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate structure](/static/products/6184/618400-79-6.webp)
4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
TL;DR: 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate (CAS 618400-79-6) is a chemical compound with molecular formula C18H20O6 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxycarbonylphenyl) 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Also Known As: 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate, (4-methoxycarbonylphenyl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate, 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptanecarb oxylate, (1S,4S)-4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
| Molecular Formula | C18H20O6 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 2.5005 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.12598 |
| Heavy Atoms | 24 |
| Complexity | 719.5295 |
Chemical Identifiers
| CAS Number | 618400-79-6 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)OC3=CC=C(C=C3)C(=O)OC)C)C |
Product Overview
4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate (CAS 618400-79-6), with molecular formula C18H20O6 and molecular weight 332.13 g/mol. IUPAC: (4-methoxycarbonylphenyl) 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Property Insights of 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
The XLogP value of 2.5005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate. Following Lipinski's Rule of Five, 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate has 0 hydrogen bond donor(s) and 6 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 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
The CAS number of 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is 618400-79-6.
What is the molecular formula of 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
The molecular formula of 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is C18H20O6.
What is the molecular weight of 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
The molecular weight of 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is 332.13 g/mol.
Where can I buy 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
You can request a quote for 4-(methoxycarbonyl)phenyl 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 4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(methoxycarbonyl)phenyl 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.