RefChem:1062646
TL;DR: RefChem:1062646 (CAS 113913-44-3) is a chemical compound with molecular formula C23H30Cl2N2O2 and molecular weight 436.16843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-4-(4-benzhydrylpiperazin-1-yl)but-2-enoate;dihydrochloride
Also Known As: Ethyl 4-(4-(diphenylmethyl)-1-piperazinyl)-2-butenoate dihydrochloride, 2-Butenoic acid, 4-(4-(diphenylmethyl)-1-piperazinyl)-, ethyl ester, dihydrochloride, ethyl (E)-4-(4-benzhydrylpiperazin-1-yl)but-2-enoate dihydrochloride
Technical Specifications
| Molecular Formula | C23H30Cl2N2O2 |
| Molecular Weight | 436.16843 g/mol |
| XLogP | 4.3565 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 436.16843 Da |
| Heavy Atoms | 29 |
| Complexity | 441.0 |
| SMILES | CCOC(=O)/C=C/CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl |
| InChIKey | JRKNHZRUMNADNW-CAJRCRMVSA-N |
Chemical Property Profile of RefChem:1062646
Property Insights of RefChem:1062646
The XLogP value of 4.3565 indicates that RefChem:1062646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:1062646 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062646 has 2 hydrogen bond donor(s) and 4 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:1062646?
The CAS number of RefChem:1062646 is 113913-44-3.
What is the molecular formula of RefChem:1062646?
The molecular formula of RefChem:1062646 is C23H30Cl2N2O2.
What is the molecular weight of RefChem:1062646?
The molecular weight of RefChem:1062646 is 436.16843 g/mol.
Where can I buy RefChem:1062646?
You can request a quote for RefChem:1062646 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1062646?
Yes, CoreyChem provides custom synthesis services for RefChem:1062646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.