RefChem:1081075
TL;DR: RefChem:1081075 (CAS 102324-40-3) is a chemical compound with molecular formula C27H35N3O9 and molecular weight 545.2373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-but-2-enedioic acid;3-(4-phenylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
Also Known As: Carbanilic acid, 3,4,5-trimethoxy-, 3-(4-phenyl-1-piperazinyl)propyl ester, maleate, 3,4,5-Trimethoxycarbanilic acid 3-(4-phenyl-1-piperazinyl)propyl ester maleate, (Z)-but-2-enedioic acid; 3-(4-phenylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
Technical Specifications
| Molecular Formula | C27H35N3O9 |
| Molecular Weight | 545.2373 g/mol |
| XLogP | 3.185 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 545.2373 Da |
| Heavy Atoms | 39 |
| Complexity | 628.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)OCCCN2CCN(CC2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O |
| InChIKey | WPOCSCRVYYHGJT-BTJKTKAUSA-N |
Chemical Property Profile of RefChem:1081075
Property Insights of RefChem:1081075
The XLogP value of 3.185 indicates that RefChem:1081075 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting RefChem:1081075 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1081075 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1081075?
The CAS number of RefChem:1081075 is 102324-40-3.
What is the molecular formula of RefChem:1081075?
The molecular formula of RefChem:1081075 is C27H35N3O9.
What is the molecular weight of RefChem:1081075?
The molecular weight of RefChem:1081075 is 545.2373 g/mol.
Where can I buy RefChem:1081075?
You can request a quote for RefChem:1081075 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1081075?
Yes, CoreyChem provides custom synthesis services for RefChem:1081075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.