![Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- structure](/static/products/905/90547-87-8.png)
Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-
TL;DR: Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- (CAS 90547-87-8) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl) acetate
Also Known As: Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-, (1,7,7-trimethyl-2-oxo-4-bicyclo[2.2.1]heptanyl) acetate, 4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-1-yl acetate, 4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-1-yl acetate #, 4,7,7-TRIMETHYL-3-OXOBICYCLO[2.2.1]HEPTAN-1-YL ACETATE
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 90547-87-8 |
|---|---|
| SMILES | CC(=O)OC12CCC(C1(C)C)(C(=O)C2)C |
| InChIKey | URGGFAVLEJJAOX-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- (CAS 90547-87-8), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: (4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl) acetate.
Chemical Property Profile of Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-
Property Insights of Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-. With a topological polar surface area (TPSA) of 43.4 Ų, Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- 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 Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-?
The CAS number of Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- is 90547-87-8.
What is the molecular formula of Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-?
The molecular formula of Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- is C12H18O3.
What is the molecular weight of Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-?
The molecular weight of Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- is 210.13 g/mol.
Where can I buy Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-?
You can request a quote for Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.