Befetupitant
TL;DR: Befetupitant (CAS 290296-68-3) is a chemical compound with molecular formula C29H29F6N3O2 and molecular weight 565.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-3-pyridinyl]propanamide
Also Known As: Befetupitant, befetupitantum, Befetupitant [USAN:INN], Ro 67-5930, Befetupitant (USAN/INN)
| Molecular Formula | C29H29F6N3O2 |
|---|---|
| Molecular Weight | 565.22 g/mol |
| LogP | 6.87182 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 565.2164 |
| Heavy Atoms | 40 |
| Complexity | 1362.9972 |
Chemical Identifiers
| CAS Number | 290296-68-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4 |
Product Overview
Befetupitant (CAS 290296-68-3), with molecular formula C29H29F6N3O2 and molecular weight 565.22 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-3-pyridinyl]propanamide.
Chemical Property Profile of Befetupitant
Property Insights of Befetupitant
The XLogP value of 6.87182 indicates that Befetupitant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.67 Ų, Befetupitant exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Befetupitant has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Befetupitant?
The CAS number of Befetupitant is 290296-68-3.
What is the molecular formula of Befetupitant?
The molecular formula of Befetupitant is C29H29F6N3O2.
What is the molecular weight of Befetupitant?
The molecular weight of Befetupitant is 565.22 g/mol.
Where can I buy Befetupitant?
You can request a quote for Befetupitant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Befetupitant?
Yes, KEHONG BIO provides custom synthesis services for Befetupitant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.