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CAS 312314-24-2 6-Fluoro-4-(phenoxy)-1H-Indole-2-carboxylic acid molecular structure lightbox
CAS RN: 312314-24-2

6-Fluoro-4-(phenoxy)-1H-Indole-2-carboxylic acid

  • Product code: SSC-136508
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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 312314-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

312314-24-2 / 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid

Standard CAS: 312314-24-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312314-24-2
Multi CAS
Yes
Molecular Formula
C16FH12NO3
Molecular Weight
285.270000
Exact Mass
285.080121
InChI
InChI=1S/C16H12FNO3/c17-11-6-13-12(8-14(18-13)16(19)20)15(7-11)21-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H,19,20)
InChIKey
QJIMQPIVDABMMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.99
TPSA
62.32

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
3.5
Consensus LogP
3.41
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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