CAS RN: 1431329-58-6
4-Chloro-3,5-difluorobenzeneMethanol
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.20250816 | 5g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS1431329-58-6
- Purity/Analytical Methods: >99.0%
1431329-58-6 / (4-chloro-3,5-difluorophenyl)methanol
Basic Information
CAS
1431329-58-6
Multi CAS
No
Molecular Formula
C7H5ClF2O
Molecular Weight
178.560000
Exact Mass
177.999699
SMILES
C1=C(C=C(C(=C1F)Cl)F)CO
InChI
InChI=1S/C7H5ClF2O/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2,11H,3H2
InChIKey
HFXGVJVAIJGNRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.29
TPSA
20.23
LogP / Solubility
WLOGP
2.11
MLOGP
1.85
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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