CAS RN: 622370-35-8
Tradipitant
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251122 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS622370-35-8
- Purity/Analytical Methods: >99.0%
622370-35-8 / [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanone
Basic Information
CAS
622370-35-8
Multi CAS
No
Molecular Formula
C28H16CLF6N5O
Molecular Weight
587.900000
Exact Mass
587.094757
InChI
InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
InChIKey
CAVRKWRKTNINFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
29
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
136.92
TPSA
73.56
LogP / Solubility
WLOGP
7.37
MLOGP
6.53
XLogP3
6.2
Consensus LogP
6.7
Log S (ESOL)
-8.26
Class (ESOL)
Insoluble
Log S (Ali)
-9.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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