CAS RN: 886501-93-5
2,3-DICHLORO-6-(TRIFLUOROMETHYL)BENZYL ALCOHOL
- Product code: SSC-200062
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
886501-93-5 / [2,3-dichloro-6-(trifluoromethyl)phenyl]methanol
Basic Information
CAS
886501-93-5
Multi CAS
No
Molecular Formula
C8H5CL2F3O
Molecular Weight
245.020000
Exact Mass
243.966955
InChI
InChI=1S/C8H5Cl2F3O/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2,14H,3H2
InChIKey
QVSMHDSDKORSCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.39
TPSA
20.23
LogP / Solubility
WLOGP
3.5
MLOGP
3.09
XLogP3
3.2
Consensus LogP
3.26
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-1.73
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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- Product Code: starshine_CAS886502-14-3
- Purity/Analytical method: >99.0%
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