2-Butenedioic acid (E), titanium complex
TL;DR: 2-Butenedioic acid (E), titanium complex (CAS 96612-50-9) is a chemical compound with molecular formula C30H26Cl6O8Ti2 and molecular weight 819.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioate);chloroform;tetrakis(cyclopenta-1,3-diene);bis(titanium(4+))
Also Known As: 2-Butenedioic acid (E), titanium complex
| Molecular Formula | C30H26Cl6O8Ti2 |
|---|---|
| Molecular Weight | 819.87 g/mol |
| LogP | 3.6746 |
| Topological Polar Surface Area | 160.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 819.87177 |
| Heavy Atoms | 46 |
| Complexity | 899.2281 |
Chemical Identifiers
| CAS Number | 96612-50-9 |
|---|---|
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Ti+4].[Ti+4] |
Product Overview
2-Butenedioic acid (E), titanium complex (CAS 96612-50-9), with molecular formula C30H26Cl6O8Ti2 and molecular weight 819.87 g/mol. IUPAC: bis((E)-but-2-enedioate);chloroform;tetrakis(cyclopenta-1,3-diene);bis(titanium(4+)).
Chemical Property Profile of 2-Butenedioic acid (E), titanium complex
Property Insights of 2-Butenedioic acid (E), titanium complex
The XLogP value of 3.6746 indicates that 2-Butenedioic acid (E), titanium complex is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.52 Ų indicates high polarity, suggesting 2-Butenedioic acid (E), titanium complex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Butenedioic acid (E), titanium complex has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butenedioic acid (E), titanium complex?
The CAS number of 2-Butenedioic acid (E), titanium complex is 96612-50-9.
What is the molecular formula of 2-Butenedioic acid (E), titanium complex?
The molecular formula of 2-Butenedioic acid (E), titanium complex is C30H26Cl6O8Ti2.
What is the molecular weight of 2-Butenedioic acid (E), titanium complex?
The molecular weight of 2-Butenedioic acid (E), titanium complex is 819.87 g/mol.
Where can I buy 2-Butenedioic acid (E), titanium complex?
You can request a quote for 2-Butenedioic acid (E), titanium complex directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid (E), titanium complex?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (E), titanium complex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.