CAS RN: 1260814-69-4
2,3-Dimethoxy-6-fluorobenzyl 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.20250928 | 100mg / 250mg / 500mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1260814-69-4
- Purity/Analytical Methods: >99.0%
1260814-69-4 / (6-fluoro-2,3-dimethoxyphenyl)methanol
Basic Information
CAS
1260814-69-4
Multi CAS
No
Molecular Formula
C9H11FO3
Molecular Weight
186.180000
Exact Mass
186.069222
SMILES
COC1=C(C(=C(C=C1)F)CO)OC
InChI
InChI=1S/C9H11FO3/c1-12-8-4-3-7(10)6(5-11)9(8)13-2/h3-4,11H,5H2,1-2H3
InChIKey
LUKQHVLVCCBCAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.43
TPSA
38.69
LogP / Solubility
WLOGP
1.34
MLOGP
1.17
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.91
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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