RefChem:111731
TL;DR: RefChem:111731 (CAS 68876-89-1) is a chemical compound with molecular formula C12H29AlCl4OTi and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl)alumane;2-methylpropan-1-ol;titanium(4+);tetrachloride
Also Known As: Aluminum, hydrobis(2-methylpropyl)-, reaction products with iso-Bu alc. and titanium tetrachloride, Aluminum, hydrobis(2-methylpropyl)-, reaction products with iso-Bualc. and titanium tetrachloride, bis(2-methylpropyl)alumane; 2-methylpropan-1-ol; titanium(4+); tetrachloride, 272-532-3, EINECS 272-532-3
| Molecular Formula | C12H29AlCl4OTi |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | -8.7803 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.02673 |
| Heavy Atoms | 19 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 68876-89-1 |
|---|---|
| SMILES | CC(C)CO.CC(C)C[AlH]CC(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4] |
| InChIKey | UZSIIVNAFPPZRD-UHFFFAOYSA-J |
Product Overview
RefChem:111731 (CAS 68876-89-1), with molecular formula C12H29AlCl4OTi and molecular weight 404.03 g/mol. IUPAC: bis(2-methylpropyl)alumane;2-methylpropan-1-ol;titanium(4+);tetrachloride.
Chemical Property Profile of RefChem:111731
Property Insights of RefChem:111731
The XLogP value of -8.7803 indicates that RefChem:111731 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:111731 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:111731 has 1 hydrogen bond donor(s) and 5 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 RefChem:111731?
The CAS number of RefChem:111731 is 68876-89-1.
What is the molecular formula of RefChem:111731?
The molecular formula of RefChem:111731 is C12H29AlCl4OTi.
What is the molecular weight of RefChem:111731?
The molecular weight of RefChem:111731 is 404.03 g/mol.
Where can I buy RefChem:111731?
You can request a quote for RefChem:111731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:111731?
Yes, KEHONG BIO provides custom synthesis services for RefChem:111731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.