RefChem:1054721
TL;DR: RefChem:1054721 (CAS 101123-68-6) is a chemical compound with molecular formula C23H27N5O9 and molecular weight 517.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2S)-2-(dimethylamino)propanoyl]-4-phenylpiperidine-4-carbaldehyde;2,4,6-trinitrophenol
Also Known As: 3115 I.S., 3115 I.S, 1-(3-(Dimethylamino)propionyl)-4-phenyl-4-piperidinecarboxaldehyde picrate, 4-Piperidinecarboxaldehyde, 1-(3-(dimethylamino)propionyl)-4-phenyl-, picrate, 1-(3-(Dimethylamino)propionyl)-4-phenyl-4-piperidinecarboxaldehyde pic rate
Technical Specifications
| Molecular Formula | C23H27N5O9 |
| Molecular Weight | 517.18085 g/mol |
| XLogP | 2.8126 |
| Topological Polar Surface Area (TPSA) | 198.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.18085 Da |
| Heavy Atoms | 37 |
| Complexity | 659.0 |
| SMILES | C[C@@H](C(=O)N1CCC(CC1)(C=O)C2=CC=CC=C2)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DIQBHGOTFOOJQM-UQKRIMTDSA-N |
Chemical Property Profile of RefChem:1054721
Property Insights of RefChem:1054721
The XLogP value of 2.8126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054721. The TPSA of 198.0 Ų indicates high polarity, suggesting RefChem:1054721 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1054721 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1054721?
The CAS number of RefChem:1054721 is 101123-68-6.
What is the molecular formula of RefChem:1054721?
The molecular formula of RefChem:1054721 is C23H27N5O9.
What is the molecular weight of RefChem:1054721?
The molecular weight of RefChem:1054721 is 517.18085 g/mol.
Where can I buy RefChem:1054721?
You can request a quote for RefChem:1054721 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1054721?
Yes, CoreyChem provides custom synthesis services for RefChem:1054721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.