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CAS 937636-18-5 Benzoic acid, 3-fluoro-4-(hydroxyMethyl)-, Methyl ester molecular structure lightbox
CAS RN: 937636-18-5

Benzoic acid, 3-fluoro-4-(hydroxyMethyl)-, Methyl ester

  • Product code: SSC-208234
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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: 5g
  • 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 937636-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

937636-18-5 / methyl 3-fluoro-4-(hydroxymethyl)benzoate

Standard CAS: 937636-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937636-18-5
Multi CAS
No
Molecular Formula
C9FH9O3
Molecular Weight
184.160000
Exact Mass
184.053572
InChI
InChI=1S/C9H9FO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4,11H,5H2,1H3
InChIKey
KEMYSTHNPDGPNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.66
TPSA
46.53

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.06

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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