RefChem:898351
TL;DR: RefChem:898351 (CAS 68443-72-1) is a chemical compound with molecular formula C35H56O6Ti and molecular weight 620.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyacetic acid;16-methylheptadecanoic acid;4-(2-phenylpropan-2-yl)phenol;titanium
Also Known As: Isostearoyl p-cumylphenyl glycolyl titanate, [hydroxyacetato(2-)-O1,O2](isooctadecanoato-O)[4-(1-methyl-1-phenylethyl)phenolato]titanium, (Hydroxyacetato(2-)-O1,O2)(isooctadecanoato-O)(4-(1-methyl-1-phenylethyl)phenolato)titanium, Titanium, ((hydroxy-kappaO)acetato(2-)-kappaO)(isooctadecanoato-kappaO)(4-(1-methyl-1-phenylethyl)phenolato)-, Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)(isooctadecanoato-kappaO)(4-(1-methyl-1-phenylethyl)phenolato)-
| Molecular Formula | C35H56O6Ti |
|---|---|
| Molecular Weight | 620.36 g/mol |
| LogP | 8.97 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 620.35565 |
| Heavy Atoms | 42 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 68443-72-1 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O.C(C(=O)O)O.[Ti] |
| InChIKey | VPKMTZGFJFMPSD-UHFFFAOYSA-N |
Product Overview
RefChem:898351 (CAS 68443-72-1), with molecular formula C35H56O6Ti and molecular weight 620.36 g/mol. IUPAC: 2-hydroxyacetic acid;16-methylheptadecanoic acid;4-(2-phenylpropan-2-yl)phenol;titanium.
Chemical Property Profile of RefChem:898351
Property Insights of RefChem:898351
The XLogP value of 8.97 indicates that RefChem:898351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:898351. Following Lipinski's Rule of Five, RefChem:898351 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898351?
The CAS number of RefChem:898351 is 68443-72-1.
What is the molecular formula of RefChem:898351?
The molecular formula of RefChem:898351 is C35H56O6Ti.
What is the molecular weight of RefChem:898351?
The molecular weight of RefChem:898351 is 620.36 g/mol.
Where can I buy RefChem:898351?
You can request a quote for RefChem:898351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898351?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.