Dapitant
TL;DR: Dapitant (CAS 153438-49-4) is a chemical compound with molecular formula C37H39NO4 and molecular weight 561.2879 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one
Also Known As: Dapitant, dapitantum, Dapitant [INN], Rpr 100893, Rpr 103253
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C37H39NO4 |
| Molecular Weight | 561.2879 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 561.2879 Da |
| Heavy Atoms | 42 |
| Complexity | 878.0 |
| SMILES | C[C@@H](C1=CC=CC=C1OC)C(=O)N2C[C@@H]3[C@H](C2)C(CC[C@]3(C4=CC=CC=C4OC)O)(C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | CCIWVEMVBWEMCY-RCFOMQFPSA-N |
Chemical Property Profile of Dapitant
Property Insights of Dapitant
The XLogP value of 6.7 indicates that Dapitant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Dapitant exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dapitant has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dapitant?
The CAS number of Dapitant is 153438-49-4.
What is the molecular formula of Dapitant?
The molecular formula of Dapitant is C37H39NO4.
What is the molecular weight of Dapitant?
The molecular weight of Dapitant is 561.2879 g/mol.
Where can I buy Dapitant?
You can request a quote for Dapitant directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dapitant?
Yes, CoreyChem provides custom synthesis services for Dapitant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.