Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1000895-80-6 / (5-fluoro-2-methoxy-4-pyridinyl)methanol
(5-fluoro-2-methoxypyridin-4-yl)methanol | 1000895-80-6 | 4-Pyridinemethanol, 5-fluoro-2-methoxy-
Basic Information
CAS
1000895-80-6
Multi CAS
No
Molecular Formula
C7H8FNO2
Molecular Weight
157.140000
Exact Mass
157.053907
SMILES
COC1=NC=C(C(=C1)CO)F
InChI
InChI=1S/C7H8FNO2/c1-11-7-2-5(4-10)6(8)3-9-7/h2-3,10H,4H2,1H3
InChIKey
GESKOFMAAHVWFR-UHFFFAOYSA-N
Synonyms
(5-fluoro-2-methoxypyridin-4-yl)methanol
1000895-80-6
4-Pyridinemethanol, 5-fluoro-2-methoxy-
MFCD16607042
(5-Fluoro-2-methoxy-pyridin-4-yl)methanol
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.67
TPSA
42.35
LogP / Solubility
WLOGP
0.72
MLOGP
0.63
XLogP3
0.4
Consensus LogP
0.58
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.17
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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