Tradipitant
TL;DR: Tradipitant (CAS 622370-35-8) is a chemical compound with molecular formula C28H16ClF6N5O and molecular weight 587.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanone
Also Known As: Tradipitant, tradipitantum, Nereus (TN), NEREUS, Tradipitant [USAN]
| Molecular Formula | C28H16ClF6N5O |
|---|---|
| Molecular Weight | 587.09 g/mol |
| LogP | 7.3724 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 587.0947 |
| Heavy Atoms | 41 |
| Complexity | 1702.2727 |
Chemical Identifiers
| CAS Number | 622370-35-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl |
Product Overview
Tradipitant (CAS 622370-35-8), with molecular formula C28H16ClF6N5O and molecular weight 587.09 g/mol. IUPAC: [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanone.
Chemical Property Profile of Tradipitant
Property Insights of Tradipitant
The XLogP value of 7.3724 indicates that Tradipitant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Tradipitant. Following Lipinski's Rule of Five, Tradipitant has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tradipitant?
The CAS number of Tradipitant is 622370-35-8.
What is the molecular formula of Tradipitant?
The molecular formula of Tradipitant is C28H16ClF6N5O.
What is the molecular weight of Tradipitant?
The molecular weight of Tradipitant is 587.09 g/mol.
Where can I buy Tradipitant?
You can request a quote for Tradipitant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tradipitant?
Yes, KEHONG BIO provides custom synthesis services for Tradipitant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.