N-Desmethyl Netupitant
TL;DR: N-Desmethyl Netupitant (CAS 290296-72-9) is a chemical compound with molecular formula C29H30F6N4O and molecular weight 564.23 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-piperazin-1-yl-3-pyridinyl]propanamide
Also Known As: N-Desmethyl Netupitant, Netupitant metabolite N-desmethyl Netupitant, Netupitant Impurity B, Netupitant metabolite M1, EX-A3289
| Molecular Formula | C29H30F6N4O |
|---|---|
| Molecular Weight | 564.23 g/mol |
| LogP | 6.44482 |
| Topological Polar Surface Area | 48.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 564.23236 |
| Heavy Atoms | 40 |
| Complexity | 1361.7521 |
Chemical Identifiers
| CAS Number | 290296-72-9 |
|---|---|
| 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)N4CCNCC4 |
Product Overview
N-Desmethyl Netupitant (CAS 290296-72-9), with molecular formula C29H30F6N4O and molecular weight 564.23 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-piperazin-1-yl-3-pyridinyl]propanamide.
Chemical Property Profile of N-Desmethyl Netupitant
Property Insights of N-Desmethyl Netupitant
The XLogP value of 6.44482 indicates that N-Desmethyl Netupitant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.47 Ų, N-Desmethyl Netupitant exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethyl Netupitant has 1 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 N-Desmethyl Netupitant?
The CAS number of N-Desmethyl Netupitant is 290296-72-9.
What is the molecular formula of N-Desmethyl Netupitant?
The molecular formula of N-Desmethyl Netupitant is C29H30F6N4O.
What is the molecular weight of N-Desmethyl Netupitant?
The molecular weight of N-Desmethyl Netupitant is 564.23 g/mol.
Where can I buy N-Desmethyl Netupitant?
You can request a quote for N-Desmethyl Netupitant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyl Netupitant?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyl Netupitant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.