RefChem:1080878
TL;DR: RefChem:1080878 (CAS 26365-79-7) is a chemical compound with molecular formula C28H45N3O10 and molecular weight 583.3105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[2-(butylcarbamoyloxy)ethyl]-[2-(2,3-dimethoxyphenyl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Carbamic acid, butyl-, diester with (2,3-dimethoxyphenethyl)iminodiethanol, maleate, Ethanol, 2,2'-(2,3-dimethoxyphenethyl)iminodi-, bis(butylcarbamate), maleate, Carbamic acid, butyl-, ((2-(2,3-dimethoxyphenyl)ethyl)imino)di-2,1-ethanediyl ester, (Z)-2-butenedioate (1:1), bis[2-(butylcarbamoyloxy)ethyl]-[2-(2,3-dimethoxyphenyl)ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, Carbamic acid, butyl-, [[2-(2,3-dimethoxyphenyl)ethyl]imino]di-2,1-ethanediyl ester, (Z)-2-butenedioate (1:1)
Technical Specifications
| Molecular Formula | C28H45N3O10 |
| Molecular Weight | 583.3105 g/mol |
| XLogP | 0.5609 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 583.3105 Da |
| Heavy Atoms | 41 |
| Complexity | 624.0 |
| SMILES | CCCCNC(=O)OCC[NH+](CCC1=C(C(=CC=C1)OC)OC)CCOC(=O)NCCCC.C(=C\C(=O)[O-])\C(=O)O |
| InChIKey | XKRWNWBWAFVMJQ-BTJKTKAUSA-N |
Chemical Property Profile of RefChem:1080878
Property Insights of RefChem:1080878
The XLogP value of 0.5609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1080878. The TPSA of 177.0 Ų indicates high polarity, suggesting RefChem:1080878 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1080878 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1080878?
The CAS number of RefChem:1080878 is 26365-79-7.
What is the molecular formula of RefChem:1080878?
The molecular formula of RefChem:1080878 is C28H45N3O10.
What is the molecular weight of RefChem:1080878?
The molecular weight of RefChem:1080878 is 583.3105 g/mol.
Where can I buy RefChem:1080878?
You can request a quote for RefChem:1080878 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1080878?
Yes, CoreyChem provides custom synthesis services for RefChem:1080878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.