AJ 3941
TL;DR: AJ 3941 (CAS 143110-70-7) is a chemical compound with molecular formula C35H35FN2O9 and molecular weight 646.23267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);1-(3-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine
Also Known As: tetraoxidotungstate(2?), AJ 3941, 1-(3-Fluoro-6,11-dihydrodibenz(b,e)oxepin-11-yl)-4-(3-phenyl-2-propenyl)piperazine dimaleate, (E)-but-2-enedioic acid;1-(3-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine, (+-)-(E)-1-(3-Fluoro-6,11-dihydrodibenz(b,e)oxepin-11-yl)-4-(3-phenyl-2-propenyl)piperazine dimaleate
Technical Specifications
| Molecular Formula | C35H35FN2O9 |
| Molecular Weight | 646.23267 g/mol |
| XLogP | 4.5621 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 646.23267 Da |
| Heavy Atoms | 47 |
| Complexity | 703.0 |
| SMILES | C1N(CCN(C1)C2C3=CC=CC=C3COC4=C2C=CC(=C4)F)C/C=C/C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | BGBBGKWUEFWPAV-PBCGGMKNSA-N |
Chemical Property Profile of AJ 3941
Property Insights of AJ 3941
The XLogP value of 4.5621 indicates that AJ 3941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting AJ 3941 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AJ 3941 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AJ 3941?
The CAS number of AJ 3941 is 143110-70-7.
What is the molecular formula of AJ 3941?
The molecular formula of AJ 3941 is C35H35FN2O9.
What is the molecular weight of AJ 3941?
The molecular weight of AJ 3941 is 646.23267 g/mol.
Where can I buy AJ 3941?
You can request a quote for AJ 3941 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AJ 3941?
Yes, CoreyChem provides custom synthesis services for AJ 3941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.