RefChem:898370
TL;DR: RefChem:898370 (CAS 63713-86-0) is a chemical compound with molecular formula C27H47NO7Ti and molecular weight 545.2832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-aminobenzoic acid;2-hydroxyacetic acid;16-methylheptadecanoic acid;titanium
Also Known As: Isostearoyl 4-aminobenzoyl glycolyl titanate, (4-Aminobenzoato-o)[hydroxyacetato(2-)-o1,o2](isooctadecanoato-o)titanium, (4-Aminobenzoato-O)(hydroxyacetato(2-)-O1,O2)(isooctadecanoato-O)titanium, Titanium, (4-aminobenzoato-kappaO)((hydroxy-kappaO)acetato(2-)-kappaO)(isooctadecanoato-kappaO)-, Titanium, (4-aminobenzoato-kappaO)(2-(hydroxy-kappaO)acetato(2-)-kappaO)(isooctadecanoato-kappaO)-
Technical Specifications
| Molecular Formula | C27H47NO7Ti |
| Molecular Weight | 545.2832 g/mol |
| XLogP | 6.22 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 545.2832 Da |
| Heavy Atoms | 36 |
| Complexity | 524.0 |
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)O.C1=CC(=CC=C1C(=O)O)N.C(C(=O)O)O.[Ti] |
| InChIKey | GVWYLHCUFLZFIG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:898370
Property Insights of RefChem:898370
The XLogP value of 6.22 indicates that RefChem:898370 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting RefChem:898370 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:898370 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:898370?
The CAS number of RefChem:898370 is 63713-86-0.
What is the molecular formula of RefChem:898370?
The molecular formula of RefChem:898370 is C27H47NO7Ti.
What is the molecular weight of RefChem:898370?
The molecular weight of RefChem:898370 is 545.2832 g/mol.
Where can I buy RefChem:898370?
You can request a quote for RefChem:898370 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:898370?
Yes, CoreyChem provides custom synthesis services for RefChem:898370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.