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CAS 78495-65-5 4-Fluoro-3-methoxyphenylacetic acid molecular structure lightbox
CAS RN: 78495-65-5

4-Fluoro-3-methoxyphenylacetic acid

  • Product code: SSC-187883
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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: ＞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 78495-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

78495-65-5 / 2-(2-fluoro-3,4-dimethoxyphenyl)acetic acid

Standard CAS: 78495-65-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78495-65-5
Multi CAS
Yes
Molecular Formula
C10FH11O4
Molecular Weight
214.190000
Exact Mass
214.064137
InChI
InChI=1S/C10H11FO4/c1-14-7-4-3-6(5-8(12)13)9(11)10(7)15-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
RAXDCPIEIZUGRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.84
TPSA
55.76

LogP / Solubility

WLOGP
1.47
MLOGP
1.3
XLogP3
1.4
Consensus LogP
1.39
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.98

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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