Vestipitant
TL;DR: Vestipitant (CAS 334476-46-9) is a chemical compound with molecular formula C23H24F7N3O and molecular weight 491.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
Also Known As: Vestipitant, vestipitantum, Vestipitant [INN], VESTIPITANT [WHO-DD], SID:210024072
| Molecular Formula | C23H24F7N3O |
|---|---|
| Molecular Weight | 491.18 g/mol |
| LogP | 5.93102 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.18076 |
| Heavy Atoms | 34 |
| Complexity | 1019.5849 |
Chemical Identifiers
| CAS Number | 334476-46-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)[C@H]2CNCCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
Vestipitant (CAS 334476-46-9), with molecular formula C23H24F7N3O and molecular weight 491.18 g/mol. IUPAC: (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide.
Chemical Property Profile of Vestipitant
Property Insights of Vestipitant
The XLogP value of 5.93102 indicates that Vestipitant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, Vestipitant exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vestipitant has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vestipitant?
The CAS number of Vestipitant is 334476-46-9.
What is the molecular formula of Vestipitant?
The molecular formula of Vestipitant is C23H24F7N3O.
What is the molecular weight of Vestipitant?
The molecular weight of Vestipitant is 491.18 g/mol.
Where can I buy Vestipitant?
You can request a quote for Vestipitant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vestipitant?
Yes, KEHONG BIO provides custom synthesis services for Vestipitant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.