CAS RN: 1351668-24-0
4-Chloro-2-fluoro-3-methylphenol
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.20250717 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1351668-24-0
- Purity/Analytical Methods: >99.0%
1351668-24-0 / 4-chloro-2-fluoro-3-methylphenol
Basic Information
CAS
1351668-24-0
Multi CAS
No
Molecular Formula
C7H6ClFO
Molecular Weight
160.570000
Exact Mass
160.009121
SMILES
CC1=C(C=CC(=C1F)O)Cl
InChI
InChI=1S/C7H6ClFO/c1-4-5(8)2-3-6(10)7(4)9/h2-3,10H,1H3
InChIKey
JJGRYIOEURYVRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.81
TPSA
20.23
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-1.93
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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