RefChem:898369
TL;DR: RefChem:898369 (CAS 68443-71-0) is a chemical compound with molecular formula C27H49NO6Ti and molecular weight 531.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aminobenzoic acid;ethane-1,2-diol;16-methylheptadecanoic acid;titanium
Also Known As: 4-Aminobenzoyl isostearoyl ethylene titanate, (4-Aminobenzoato-o)[ethane-1,2-diolato(2-)-o,o'](isooctadecanoato-o)titanium, (4-Aminobenzoato-O)(ethane-1,2-diolato(2-)-O,O')(isooctadecanoato-O)titanium, Titanium, (4-aminobenzoato-kappaO)(1,2-ethanediolato(2-)-kappaO,kappaO')(isooctadecanoato-kappaO)-, Titanium, (4-aminobenzoato-kappaO)(1,2-ethanediolato(2-)-kappaO1,kappaO2)(isooctadecanoato-kappaO)-
| Molecular Formula | C27H49NO6Ti |
|---|---|
| Molecular Weight | 531.30 g/mol |
| LogP | 6.12 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 531.30396 |
| Heavy Atoms | 35 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 68443-71-0 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)O.C1=CC(=CC=C1C(=O)O)N.C(CO)O.[Ti] |
| InChIKey | MWQXGRFIYROTSC-UHFFFAOYSA-N |
Product Overview
RefChem:898369 (CAS 68443-71-0), with molecular formula C27H49NO6Ti and molecular weight 531.30 g/mol. IUPAC: 4-aminobenzoic acid;ethane-1,2-diol;16-methylheptadecanoic acid;titanium.
Chemical Property Profile of RefChem:898369
Property Insights of RefChem:898369
The XLogP value of 6.12 indicates that RefChem:898369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting RefChem:898369 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:898369 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:898369?
The CAS number of RefChem:898369 is 68443-71-0.
What is the molecular formula of RefChem:898369?
The molecular formula of RefChem:898369 is C27H49NO6Ti.
What is the molecular weight of RefChem:898369?
The molecular weight of RefChem:898369 is 531.30 g/mol.
Where can I buy RefChem:898369?
You can request a quote for RefChem:898369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898369?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.