![CAS 1420537-26-3 (S)-(5-fluoro-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)Methanol, 97%(HPLC) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1420537-26-3.png)
CAS RN: 1420537-26-3
(S)-(5-fluoro-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)Methanol, 97%(HPLC)
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 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINS926582
1420537-26-3 / [(2S)-5-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
Basic Information
CAS
1420537-26-3
Multi CAS
No
Molecular Formula
C9H9FO3
Molecular Weight
184.160000
Exact Mass
184.053572
SMILES
C1[C@@H](OC2=C(O1)C(=CC=C2)F)CO
InChI
InChI=1S/C9H9FO3/c10-7-2-1-3-8-9(7)12-5-6(4-11)13-8/h1-3,6,11H,4-5H2/t6-/m0/s1
InChIKey
RBIPJOGPQYNEOY-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.4
TPSA
38.69
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
1.1
Consensus LogP
0.97
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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