2,4-Pentanediol, 2-methyl-, titanium salt (1:?)
TL;DR: 2,4-Pentanediol, 2-methyl-, titanium salt (1:?) (CAS 41994-80-3) is a chemical compound with molecular formula C6H13O2Ti- and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-methylpentan-2-olate;titanium
Also Known As: Hexylene glycol, Hexylene glycol titanate, 4-hydroxy-4-methylpentan-2-olate, 2,4-Pentanediol, 2-methyl-, titanium(4+) salt, Titanium(4+) 2-methylpentane-2,4-diolate
| Molecular Formula | C6H13O2Ti- |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | -0.1063 |
| Topological Polar Surface Area | 43.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.03949 |
| Heavy Atoms | 9 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 41994-80-3 |
|---|---|
| SMILES | CC(CC(C)(C)O)[O-].[Ti] |
| InChIKey | METRUZNSUFTBGE-UHFFFAOYSA-N |
Product Overview
2,4-Pentanediol, 2-methyl-, titanium salt (1:?) (CAS 41994-80-3), with molecular formula C6H13O2Ti- and molecular weight 165.04 g/mol. IUPAC: 4-hydroxy-4-methylpentan-2-olate;titanium.
Chemical Property Profile of 2,4-Pentanediol, 2-methyl-, titanium salt (1:?)
Property Insights of 2,4-Pentanediol, 2-methyl-, titanium salt (1:?)
The XLogP value of -0.1063 indicates that 2,4-Pentanediol, 2-methyl-, titanium salt (1:?) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.3 Ų, 2,4-Pentanediol, 2-methyl-, titanium salt (1:?) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentanediol, 2-methyl-, titanium salt (1:?) 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 2,4-Pentanediol, 2-methyl-, titanium salt (1:?)?
The CAS number of 2,4-Pentanediol, 2-methyl-, titanium salt (1:?) is 41994-80-3.
What is the molecular formula of 2,4-Pentanediol, 2-methyl-, titanium salt (1:?)?
The molecular formula of 2,4-Pentanediol, 2-methyl-, titanium salt (1:?) is C6H13O2Ti-.
What is the molecular weight of 2,4-Pentanediol, 2-methyl-, titanium salt (1:?)?
The molecular weight of 2,4-Pentanediol, 2-methyl-, titanium salt (1:?) is 165.04 g/mol.
Where can I buy 2,4-Pentanediol, 2-methyl-, titanium salt (1:?)?
You can request a quote for 2,4-Pentanediol, 2-methyl-, titanium salt (1:?) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanediol, 2-methyl-, titanium salt (1:?)?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanediol, 2-methyl-, titanium salt (1:?) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.