RefChem:1068937
TL;DR: RefChem:1068937 (CAS 157596-04-8) is a chemical compound with molecular formula C26H33N3O7 and molecular weight 499.23184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
Also Known As: 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)oxime, (Z)-2-butenedioate (1:2) (salt)
Technical Specifications
| Molecular Formula | C26H33N3O7 |
| Molecular Weight | 499.23184 g/mol |
| XLogP | 1.1893 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.23184 Da |
| Heavy Atoms | 36 |
| Complexity | 640.0 |
| SMILES | C1C/C(=N/OCC(CN2CCN(CC2)CCO)O)/C3=C1C4=CC=CC=C4C=C3.C(=C/C(=O)O)\C(=O)O |
| InChIKey | RIBHKWONJKTAMJ-BBLPQEPQSA-N |
Chemical Property Profile of RefChem:1068937
Property Insights of RefChem:1068937
The XLogP value of 1.1893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068937. The TPSA of 143.0 Ų indicates high polarity, suggesting RefChem:1068937 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1068937 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1068937?
The CAS number of RefChem:1068937 is 157596-04-8.
What is the molecular formula of RefChem:1068937?
The molecular formula of RefChem:1068937 is C26H33N3O7.
What is the molecular weight of RefChem:1068937?
The molecular weight of RefChem:1068937 is 499.23184 g/mol.
Where can I buy RefChem:1068937?
You can request a quote for RefChem:1068937 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068937?
Yes, CoreyChem provides custom synthesis services for RefChem:1068937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.