CAS 319-72-2 4-(5-FLUORO-1H-INDOL-3-YL)-BUTYRIC ACID molecular structure

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CAS RN: 319-72-2

4-(5-FLUORO-1H-INDOL-3-YL)-BUTYRIC ACID

Product Availability

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260118	100mg / 250mg / 1g	Out of stock	8-10 business days	Inquiry

Product code: SSC-137351

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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 319-72-2
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞97%	0 Out of Stock	Hong Kong	Inquiry

319-72-2 / 4-(5-fluoro-1H-indol-3-yl)butanoic acid

Standard CAS: 319-72-2 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

319-72-2

Multi CAS

Molecular Formula

C12FH12NO2

Molecular Weight

221.230000

Exact Mass

221.085207

InChI

InChI=1S/C12H12FNO2/c13-9-4-5-11-10(6-9)8(7-14-11)2-1-3-12(15)16/h4-7,14H,1-3H2,(H,15,16)

InChIKey

IJAVCLNGRFTCBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.25

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

58.83

TPSA

53.09

LogP / Solubility

WLOGP

2.71

MLOGP

2.39

XLogP3

2.4

Consensus LogP

2.5

Log S (ESOL)

-3.07

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.33

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.83

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.14

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

4-(5-FLUORO-1H-INDOL-3-YL)-BUTYRIC ACID

Product Availability

Historical Supply Reference

Reference Pack Sizes

319-72-2 / 4-(5-fluoro-1H-indol-3-yl)butanoic acid

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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