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CAS 70163-98-3 3-FLUORO-2-HYDROXY-BENZOIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 70163-98-3

3-FLUORO-2-HYDROXY-BENZOIC ACID METHYL ESTER

  • Product code: SSC-179977
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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 70163-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

70163-98-3 / methyl 3-fluoro-2-hydroxybenzoate

Standard CAS: 70163-98-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70163-98-3
Multi CAS
Yes
Molecular Formula
C8FH7O3
Molecular Weight
170.140000
Exact Mass
170.037922
InChI
InChI=1S/C8H7FO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3
InChIKey
NRGQRZHYRCJTKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.4
TPSA
46.53

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
2.4
Consensus LogP
1.63
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.82

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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