RefChem:898431
TL;DR: RefChem:898431 (CAS 68443-48-1) is a chemical compound with molecular formula C38H68O4Ti and molecular weight 636.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(decan-1-ol);4-(2-phenylpropan-2-yl)phenol;propan-2-ol;titanium
Also Known As: Isopropyl didecyl p-cumylphenyl titanate, methyl 4-methyl-2-oxo-3-pentylcyclopent-3-ene-1-carboxylate, Titanium, bis(decyloxy)(4-(1-methyl-1-phenylethyl)phenolato)(2-propanolato)-, (T-4)-, Bis(decan-1-olato)(4-(1-methyl-1-phenylethyl)phenolato)(propan-2-olato)titanium, Titanium, bis(decyloxy)[4-(1-methyl-1-phenylethyl)phenolato](2-propanolato)-, (T-4)-
| Molecular Formula | C38H68O4Ti |
|---|---|
| Molecular Weight | 636.46 g/mol |
| LogP | 10.34 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 636.4597 |
| Heavy Atoms | 43 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 68443-48-1 |
|---|---|
| SMILES | CCCCCCCCCCO.CCCCCCCCCCO.CC(C)O.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O.[Ti] |
| InChIKey | YOLVRGLEOHHLQD-UHFFFAOYSA-N |
Product Overview
RefChem:898431 (CAS 68443-48-1), with molecular formula C38H68O4Ti and molecular weight 636.46 g/mol. IUPAC: bis(decan-1-ol);4-(2-phenylpropan-2-yl)phenol;propan-2-ol;titanium.
Chemical Property Profile of RefChem:898431
Property Insights of RefChem:898431
The XLogP value of 10.34 indicates that RefChem:898431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:898431. Following Lipinski's Rule of Five, RefChem:898431 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898431?
The CAS number of RefChem:898431 is 68443-48-1.
What is the molecular formula of RefChem:898431?
The molecular formula of RefChem:898431 is C38H68O4Ti.
What is the molecular weight of RefChem:898431?
The molecular weight of RefChem:898431 is 636.46 g/mol.
Where can I buy RefChem:898431?
You can request a quote for RefChem:898431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898431?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.