RefChem:1056414
TL;DR: RefChem:1056414 (CAS 113594-68-6) is a chemical compound with molecular formula C31H38N2O14 and molecular weight 662.2323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);(4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
Also Known As: 1-((4-Methoxyphenoxy)carbonylmethyl)-4-(3,4,5-trimethoxybenzyl)piperazine difumarate hydrate, 1-Piperazineacetic acid, 4-((3,4,5-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, (E)-2-butenedioate, hydrate (1:2:1), (E)-but-2-enedioic acid; (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate, 1-Piperazineacetic acid,4-((3,4,5-trimethoxyphenyl)methyl)-,4-methoxyphenyl ester,(E)-2-butenedioate,hydrate (1:2:1), but-2-enedioic acid,(4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate,hydrate
Technical Specifications
| Molecular Formula | C31H38N2O14 |
| Molecular Weight | 662.2323 g/mol |
| XLogP | 1.8678 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 662.2323 Da |
| Heavy Atoms | 47 |
| Complexity | 639.0 |
| SMILES | COC1=CC=C(C=C1)OC(=O)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | XNALPDNJINBXDW-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1056414
Property Insights of RefChem:1056414
The XLogP value of 1.8678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056414. The TPSA of 219.0 Ų indicates high polarity, suggesting RefChem:1056414 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056414 has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1056414?
The CAS number of RefChem:1056414 is 113594-68-6.
What is the molecular formula of RefChem:1056414?
The molecular formula of RefChem:1056414 is C31H38N2O14.
What is the molecular weight of RefChem:1056414?
The molecular weight of RefChem:1056414 is 662.2323 g/mol.
Where can I buy RefChem:1056414?
You can request a quote for RefChem:1056414 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056414?
Yes, CoreyChem provides custom synthesis services for RefChem:1056414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.