CAS RN: 640290-67-1
Neu-2000
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250708 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250318 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260114 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260404 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250903 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250509 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS640290-67-1
- Purity/Analytical Methods: >99.0%
640290-67-1 / 2-hydroxy-5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]benzoic acid
Basic Information
CAS
640290-67-1
Multi CAS
No
Molecular Formula
C15F7H8NO3
Molecular Weight
383.220000
Exact Mass
383.039240
InChI
InChI=1S/C15H8F7NO3/c16-10-7(11(17)13(19)9(12(10)18)15(20,21)22)4-23-5-1-2-8(24)6(3-5)14(25)26/h1-3,23-24H,4H2,(H,25,26)
InChIKey
HABROHXUHNHQMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
73.67
TPSA
69.56
LogP / Solubility
WLOGP
4.28
MLOGP
3.79
XLogP3
4.4
Consensus LogP
4.16
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
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
Yes
Log Kp (skin permeation)
-2.02
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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