PD 117302
TL;DR: PD 117302 (CAS 111728-01-9) is a chemical compound with molecular formula C21H28N2OS and molecular weight 356.19223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Also Known As: PD 117302, (rel)-RSD 921, RSD 921, SID:134224737, PD 123497
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H28N2OS |
| Molecular Weight | 356.19223 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.19223 Da |
| Heavy Atoms | 25 |
| Complexity | 465.0 |
| SMILES | CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=C4C=CSC4=CC=C3 |
| InChIKey | SYHJZCCNQDFHJQ-RTBURBONSA-N |
Chemical Property Profile of PD 117302
Property Insights of PD 117302
The XLogP value of 4.2 indicates that PD 117302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, PD 117302 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PD 117302 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of PD 117302?
The CAS number of PD 117302 is 111728-01-9.
What is the molecular formula of PD 117302?
The molecular formula of PD 117302 is C21H28N2OS.
What is the molecular weight of PD 117302?
The molecular weight of PD 117302 is 356.19223 g/mol.
Where can I buy PD 117302?
You can request a quote for PD 117302 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for PD 117302?
Yes, CoreyChem provides custom synthesis services for PD 117302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.