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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
933673-45-1 / 1-methoxy-5-methyl-4-nitro-2-(trifluoromethyl)benzene
Basic Information
CAS
933673-45-1
Multi CAS
No
Molecular Formula
C9F3H8NO3
Molecular Weight
235.160000
Exact Mass
235.045628
InChI
InChI=1S/C9H8F3NO3/c1-5-3-8(16-2)6(9(10,11)12)4-7(5)13(14)15/h3-4H,1-2H3
InChIKey
PAMCCYLUISPVGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.39
TPSA
52.37
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-2.07
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
-
2-CHLORO-5-TRIFLUOROMETHYLSULFANYL-PHENYLAMINE
- CAS RN: 933674-81-8
- Product Code: starshine_CAS933674-81-8
- Purity/Analytical method: >99.0%
-
-
2-Thiazolemethanamine, N,-alpha–dimethyl-
- CAS RN: 933682-50-9
- Product Code: starshine_CAS933682-50-9
- Purity/Analytical method: >99.0%
-
-
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine
- CAS RN: 933683-06-8
- Product Code: SSC-207366
-
![CAS 933683-06-8 N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/933683-06-8.gif)
