CAS RN: 402-08-4
2-CHLORO-5-(TRIFLUOROMETHYL)ANISOLE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-148248
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
402-08-4 / 1-chloro-2-methoxy-4-(trifluoromethyl)benzene
Basic Information
CAS
402-08-4
Multi CAS
No
Molecular Formula
C8H6CLF3O
Molecular Weight
210.580000
Exact Mass
210.005927
InChI
InChI=1S/C8H6ClF3O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3
InChIKey
HMFHBKVVYUOVSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.01
TPSA
9.23
LogP / Solubility
WLOGP
3.37
MLOGP
2.96
XLogP3
3.7
Consensus LogP
3.34
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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3-Bromo-4-methoxybenzotrifluoride2-Methoxy-5-trifluoromethyl bromobenzene
- CAS RN: 402-10-8
- Product Code: SSC-148249
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