7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-
TL;DR: 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene- (CAS 127750-96-3) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,6-trimethylidene-7-oxabicyclo[2.2.1]heptan-2-one
Also Known As: 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-, 2,5,6-trimethylidene-7-oxabicyclo[2.2.1]heptan-3-one, 3,5,6-trimethylidene-7-oxabicyclo[2.2.1]heptan-2-one, 7-Oxabicyclo[2.2.1]heptanone, 3,5,6-trimethylidene-, 3,5,6-Trimethylidene-7-oxabicyclo<2.2.1>heptane-2-one
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 127750-96-3 |
|---|---|
| SMILES | C=C1C2C(=C)C(=O)C(C1=C)O2 |
| InChIKey | HLQGJHVUXDBZQM-UHFFFAOYSA-N |
Product Overview
7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene- (CAS 127750-96-3), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 3,5,6-trimethylidene-7-oxabicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-
Property Insights of 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene- has 0 hydrogen bond donor(s) and 2 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 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-?
The CAS number of 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene- is 127750-96-3.
What is the molecular formula of 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-?
The molecular formula of 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene- is C9H8O2.
What is the molecular weight of 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-?
The molecular weight of 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene- is 148.05 g/mol.
Where can I buy 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-?
You can request a quote for 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene-?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxabicyclo(2.2.1)heptanone, 3,5,6-trimethylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.