RefChem:1068513
TL;DR: RefChem:1068513 (CAS 156724-53-7) is a chemical compound with molecular formula C21H29ClN2O3 and molecular weight 392.18668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[(Z)-4-chloropent-3-enyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
Also Known As: 3-Piperidinecarboxylic acid, 1-(4-chloro-3-pentenyl)-4-((1-oxopropyl)phenylamino)-, methyl ester, Methyl 1-(4-chloro-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate, methyl 1-[(Z)-4-chloropent-3-enyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
Technical Specifications
| Molecular Formula | C21H29ClN2O3 |
| Molecular Weight | 392.18668 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.18668 Da |
| Heavy Atoms | 27 |
| Complexity | 532.0 |
| SMILES | CCC(=O)N(C1CCN(CC1C(=O)OC)CC/C=C(/C)\Cl)C2=CC=CC=C2 |
| InChIKey | RKFRIVQTUBFGFM-SXGWCWSVSA-N |
Chemical Property Profile of RefChem:1068513
Property Insights of RefChem:1068513
The XLogP value of 3.6 indicates that RefChem:1068513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, RefChem:1068513 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068513 has 0 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:1068513?
The CAS number of RefChem:1068513 is 156724-53-7.
What is the molecular formula of RefChem:1068513?
The molecular formula of RefChem:1068513 is C21H29ClN2O3.
What is the molecular weight of RefChem:1068513?
The molecular weight of RefChem:1068513 is 392.18668 g/mol.
Where can I buy RefChem:1068513?
You can request a quote for RefChem:1068513 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068513?
Yes, CoreyChem provides custom synthesis services for RefChem:1068513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.