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CAS 796071-90-4 (5-FLUOROINDOL-1-YL)ACETIC ACID molecular structure lightbox
CAS RN: 796071-90-4

(5-FLUOROINDOL-1-YL)ACETIC ACID

  • Product code: SSC-188730
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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 796071-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

796071-90-4 / 2-(5-fluoroindol-1-yl)acetic acid

Standard CAS: 796071-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
796071-90-4
Multi CAS
No
Molecular Formula
C10FH8NO2
Molecular Weight
193.170000
Exact Mass
193.053907
InChI
InChI=1S/C10H8FNO2/c11-8-1-2-9-7(5-8)3-4-12(9)6-10(13)14/h1-5H,6H2,(H,13,14)
InChIKey
HWMIWHZKBNDAMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.53
TPSA
42.23

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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