CAS RN: 1379220-74-2
2,4-DIFLUORO-6-METHYLBENZYL ALCOHOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260202 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1379220-74-2
- Purity/Analytical Methods: >99.0%
1379220-74-2 / (2,4-difluoro-6-methylphenyl)methanol
Basic Information
CAS
1379220-74-2
Multi CAS
No
Molecular Formula
C8H8F2O
Molecular Weight
158.140000
Exact Mass
158.054321
SMILES
CC1=CC(=CC(=C1CO)F)F
InChI
InChI=1S/C8H8F2O/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3,11H,4H2,1H3
InChIKey
NETRQFPHYFBWPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.02
TPSA
20.23
LogP / Solubility
WLOGP
1.77
MLOGP
1.55
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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