Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
402-14-2 / 2-nitro-5-(trifluoromethyl)aniline
Basic Information
CAS
402-14-2
Multi CAS
Yes
Molecular Formula
C7F3H5N2O2
Molecular Weight
206.120000
Exact Mass
206.030312
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-6(12(13)14)5(11)3-4/h1-3H,11H2
InChIKey
AUTLVHYEAAAKNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.51
TPSA
69.16
LogP / Solubility
WLOGP
2.2
MLOGP
1.93
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
N,N”-BIS-(3-TRIFLUOROMETHYL-PHENYL)-MALONAMIDE
- CAS RN: 402-21-1
- Product Code: starshine_CAS402-21-1
- Purity/Analytical method: >99.0%
-
4-FLUOROBENZOTRICHLORIDE
- CAS RN: 402-42-6
- Product Code: starshine_CAS402-42-6
- Purity/Analytical method: >99.0%
-
-
