7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-
TL;DR: 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene- (CAS 127750-98-5) is a chemical compound with molecular formula C8H6O3 and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethylidene-7-oxabicyclo[2.2.1]heptane-2,5-dione
Also Known As: 3,6-dimethylidene-7-oxabicyclo[2.2.1]heptane-2,5-dione, 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-, 7-Oxabicyclo[2.2.1]heptane-2,5-dione, 3,6-dimethylidene-, 3,6-Dimethylidene-7-oxabicyclo<2.2.1>heptane-2,5-dione, RefChem:311219
| Molecular Formula | C8H6O3 |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.0317 |
| Heavy Atoms | 11 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 127750-98-5 |
|---|---|
| SMILES | C=C1C2C(=O)C(=C)C(C1=O)O2 |
| InChIKey | YIHLCAOATGPYBG-UHFFFAOYSA-N |
Product Overview
7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene- (CAS 127750-98-5), with molecular formula C8H6O3 and molecular weight 150.03 g/mol. IUPAC: 3,6-dimethylidene-7-oxabicyclo[2.2.1]heptane-2,5-dione.
Chemical Property Profile of 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-
Property Insights of 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-. With a topological polar surface area (TPSA) of 43.4 Ų, 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene- has 0 hydrogen bond donor(s) and 3 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)heptane-2,5-dione, 3,6-dimethylidene-?
The CAS number of 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene- is 127750-98-5.
What is the molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-?
The molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene- is C8H6O3.
What is the molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-?
The molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene- is 150.03 g/mol.
Where can I buy 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene-?
You can request a quote for 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene- 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)heptane-2,5-dione, 3,6-dimethylidene-?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxabicyclo(2.2.1)heptane-2,5-dione, 3,6-dimethylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.