(6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid
TL;DR: (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid (CAS 2222-26-6) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)acetic acid
Also Known As: 3-Carboxymethyl-6-isopropyl-tropolon, J1.398.707F, (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid, (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrien-1-yl)acetic acid #, 1,3,5-Cycloheptatriene-1-acetic acid, 6-hydroxy-4-isopropyl-7-oxo-
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 2222-26-6 |
|---|---|
| SMILES | CC(C)C1=CC(=O)C(=C(C=C1)CC(=O)O)O |
| InChIKey | MOBWTWGAJOJLLJ-UHFFFAOYSA-N |
Product Overview
(6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid (CAS 2222-26-6), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)acetic acid.
Chemical Property Profile of (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid
Property Insights of (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid. Following Lipinski's Rule of Five, (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid has 2 hydrogen bond donor(s) and 4 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 (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid?
The CAS number of (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid is 2222-26-6.
What is the molecular formula of (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid?
The molecular formula of (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid is C12H14O4.
What is the molecular weight of (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid?
The molecular weight of (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid is 222.09 g/mol.
Where can I buy (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid?
You can request a quote for (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-Hydroxy-4-isopropyl-7-oxo-1,3,5-cycloheptatrienyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.