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CAS 1208434-90-5 (2,6-Difluoro-3,5-diMethoxyphenyl)Methanol molecular structure lightbox
CAS RN: 1208434-90-5

(2,6-Difluoro-3,5-diMethoxyphenyl)Methanol

  • Product code: SSC-022191
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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: 0.25g, 1g, 5g, 10g
  • Available purity: ≥97%
  • 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 1208434-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

1208434-90-5 / (2,6-difluoro-3,5-dimethoxyphenyl)methanol

(2,6-Difluoro-3,5-dimethoxyphenyl)methanol | 2,6-Difluoro-3,5-dimethoxybenzyl alcohol | 2,6-Difluoro-3,5-dimethoxybenzenemethanol

Standard CAS: 1208434-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208434-90-5
Multi CAS
No
Molecular Formula
C9H10F2O3
Molecular Weight
204.170000
Exact Mass
204.059801
SMILES
COC1=CC(=C(C(=C1F)CO)F)OC
InChI
InChI=1S/C9H10F2O3/c1-13-6-3-7(14-2)9(11)5(4-12)8(6)10/h3,12H,4H2,1-2H3
InChIKey
KKWMGIQEJSZJLI-UHFFFAOYSA-N
Synonyms
(2,6-Difluoro-3,5-dimethoxyphenyl)methanol 2,6-Difluoro-3,5-dimethoxybenzyl alcohol 2,6-Difluoro-3,5-dimethoxybenzenemethanol MFCD22683867 (2,6-difluoro-3,5-dimethoxy-phenyl)methanol

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.38
TPSA
38.69

LogP / Solubility

WLOGP
1.47
MLOGP
1.3
XLogP3
1.2
Consensus LogP
1.32
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.92

Drug-likeness / Medicinal Chemistry

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

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