2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one
TL;DR: 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one (CAS 1889-96-9) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one
Also Known As: Tetramethylreductic acid, TMRA, Tetramethyl-reduktinsaeure, 2,3-Dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one, 2-Cyclopenten-1-one, 2,3-dihydroxy-4,4,5,5-tetramethyl-
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 1889-96-9 |
|---|---|
| SMILES | CC1(C(=C(C(=O)C1(C)C)O)O)C |
| InChIKey | XBDZRROTFKRVES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one (CAS 1889-96-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: 2,3-dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one.
Chemical Property Profile of 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one
Property Insights of 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one. With a topological polar surface area (TPSA) of 57.5 Ų, 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one 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-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one?
The CAS number of 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one is 1889-96-9.
What is the molecular formula of 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one?
The molecular formula of 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one is C9H14O3.
What is the molecular weight of 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one?
The molecular weight of 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one is 170.09 g/mol.
Where can I buy 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one?
You can request a quote for 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.