CAS RN: 80854-14-4
2-(4-Chlorophenyl)-2-methylpropanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250121 | 500mg / 1g / 5g / 25g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-189480
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
80854-14-4 / 2-(4-chlorophenyl)-2-methylpropan-1-ol
Basic Information
CAS
80854-14-4
Multi CAS
No
Molecular Formula
C10H13CLO
Molecular Weight
184.660000
Exact Mass
184.065493
InChI
InChI=1S/C10H13ClO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKey
NJTICDHSNUXDFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.56
TPSA
20.23
LogP / Solubility
WLOGP
2.61
MLOGP
2.29
XLogP3
3
Consensus LogP
2.63
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
