3-Pentanone, 1-hydroxy-2,2,4-trimethyl-
TL;DR: 3-Pentanone, 1-hydroxy-2,2,4-trimethyl- (CAS 15904-30-0) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-2,2,4-trimethylpentan-3-one
Also Known As: 1-hydroxy-2,2,4-trimethylpentan-3-one, 2,2,4-Trimethyl-3-keto-pentanol, 3-Pentanone, 1-hydroxy-2,2,4-trimethyl-, 1-hydroxy-2,2,4-trimethyl-3-pentanone, 2,4,4-Trimethyl-5-hydroxy-3-pentanone
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 15904-30-0 |
|---|---|
| SMILES | CC(C)C(=O)C(C)(C)CO |
| InChIKey | PYSAJDICZJMKGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pentanone, 1-hydroxy-2,2,4-trimethyl- (CAS 15904-30-0), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 1-hydroxy-2,2,4-trimethylpentan-3-one.
Chemical Property Profile of 3-Pentanone, 1-hydroxy-2,2,4-trimethyl-
Property Insights of 3-Pentanone, 1-hydroxy-2,2,4-trimethyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentanone, 1-hydroxy-2,2,4-trimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Pentanone, 1-hydroxy-2,2,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentanone, 1-hydroxy-2,2,4-trimethyl- has 1 hydrogen bond donor(s) and 2 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 3-Pentanone, 1-hydroxy-2,2,4-trimethyl-?
The CAS number of 3-Pentanone, 1-hydroxy-2,2,4-trimethyl- is 15904-30-0.
What is the molecular formula of 3-Pentanone, 1-hydroxy-2,2,4-trimethyl-?
The molecular formula of 3-Pentanone, 1-hydroxy-2,2,4-trimethyl- is C8H16O2.
What is the molecular weight of 3-Pentanone, 1-hydroxy-2,2,4-trimethyl-?
The molecular weight of 3-Pentanone, 1-hydroxy-2,2,4-trimethyl- is 144.12 g/mol.
Where can I buy 3-Pentanone, 1-hydroxy-2,2,4-trimethyl-?
You can request a quote for 3-Pentanone, 1-hydroxy-2,2,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentanone, 1-hydroxy-2,2,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentanone, 1-hydroxy-2,2,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.