CAS RN: 2378626-29-8
TED-347
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251218 | 100mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20251002 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250921 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250910 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260216 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2378626-29-8
- Purity/Analytical Methods: >99.0%
2378626-29-8 / 2-chloro-1-[2-[3-(trifluoromethyl)anilino]phenyl]ethanone
Basic Information
CAS
2378626-29-8
Multi CAS
No
Molecular Formula
C15H11ClF3NO
Molecular Weight
313.700000
Exact Mass
313.048126
SMILES
C1=CC=C(C(=C1)C(=O)CCl)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H11ClF3NO/c16-9-14(21)12-6-1-2-7-13(12)20-11-5-3-4-10(8-11)15(17,18)19/h1-8,20H,9H2
InChIKey
JPVDFGYNLUBCSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.22
TPSA
29.1
LogP / Solubility
WLOGP
4.87
MLOGP
4.3
XLogP3
5.2
Consensus LogP
4.79
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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