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CAS 1823900-28-2 (2-(allyloxy)-4,6-difluorophenyl)Methanol molecular structure lightbox
CAS RN: 1823900-28-2

(2-(allyloxy)-4,6-difluorophenyl)Methanol

  • Product code: SSC-083973
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1823900-28-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1823900-28-2 / (2,4-difluoro-6-prop-2-enoxyphenyl)methanol

Standard CAS: 1823900-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823900-28-2
Multi CAS
No
Molecular Formula
C10H10F2O2
Molecular Weight
200.180000
Exact Mass
200.064886
SMILES
C=CCOC1=C(C(=CC(=C1)F)F)CO
InChI
InChI=1S/C10H10F2O2/c1-2-3-14-10-5-7(11)4-9(12)8(10)6-13/h2,4-5,13H,1,3,6H2
InChIKey
CNDAQDNKYUPVPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.97
TPSA
29.46

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.9
Consensus LogP
1.9
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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