Cre 1087
TL;DR: Cre 1087 (CAS 144860-78-6) is a chemical compound with molecular formula C34H56N2O18 and molecular weight 780.3528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-(diethylamino)ethoxy]-3-(2-methoxyphenoxy)propoxy]-N,N-diethylethanamine;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
Also Known As: Cre 1087, 1-(2-Methoxyphenoxy)-2,3-bis(2-diethylaminoethoxy)propane, 2-[2-[2-(diethylamino)ethoxy]-3-(2-methoxyphenoxy)propoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid, 2-[2-(2-diethylaminoethyloxy)-3-(2-methoxyphenoxy)propoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--N,N'-{[3-(2-methoxyphenoxy)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(N-ethylethan-1-amine) (2/1)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C34H56N2O18 |
| Molecular Weight | 780.3528 g/mol |
| XLogP | 0.6624 |
| Topological Polar Surface Area (TPSA) | 308.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 27 |
| Exact Mass | 780.3528 Da |
| Heavy Atoms | 54 |
| Complexity | 579.0 |
| SMILES | CCN(CC)CCOCC(COC1=CC=CC=C1OC)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | VEOCFVFIPPXQLI-UHFFFAOYSA-N |
Chemical Property Profile of Cre 1087
Property Insights of Cre 1087
The XLogP value of 0.6624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cre 1087. The TPSA of 308.0 Ų indicates high polarity, suggesting Cre 1087 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cre 1087 has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cre 1087?
The CAS number of Cre 1087 is 144860-78-6.
What is the molecular formula of Cre 1087?
The molecular formula of Cre 1087 is C34H56N2O18.
What is the molecular weight of Cre 1087?
The molecular weight of Cre 1087 is 780.3528 g/mol.
Where can I buy Cre 1087?
You can request a quote for Cre 1087 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cre 1087?
Yes, CoreyChem provides custom synthesis services for Cre 1087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.