![2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid structure](/static/products/852/85281-92-1.png)
2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid
TL;DR: 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid (CAS 85281-92-1) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-hydroxy-2-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)acetic acid
Also Known As: 2-(3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid, (2E)-Hydroxy(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene)acetic acid, Acetic acid, hydroxy(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)-, (E)-
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.9083 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 418.7347 |
Chemical Identifiers
| CAS Number | 85281-92-1 |
|---|---|
| SMILES | CC1(C\2CCC1(C(=O)/C2=C(\C(=O)O)/O)C)C |
Product Overview
2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid (CAS 85281-92-1), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: (2E)-2-hydroxy-2-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)acetic acid.
Chemical Property Profile of 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid
Property Insights of 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid
The XLogP value of 1.9083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid. Following Lipinski's Rule of Five, 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid has 2 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 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid?
The CAS number of 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid is 85281-92-1.
What is the molecular formula of 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid?
The molecular formula of 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid is C12H16O4.
What is the molecular weight of 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid?
The molecular weight of 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid is 224.10 g/mol.
Where can I buy 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid?
You can request a quote for 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.