CAS 5001-96-7 (2-FLUORO-4-BIPHENYL)ACETIC ACID molecular structure

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CAS RN: 5001-96-7

(2-FLUORO-4-BIPHENYL)ACETIC ACID

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251009	25mg / 100mg / 250mg	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-156323

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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: 0.25g
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 5001-96-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.25g	≥95%	0 Out of Stock	Beijing	Inquiry

5001-96-7 / 2-(3-fluoro-4-phenylphenyl)acetic acid

Standard CAS: 5001-96-7 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

5001-96-7

Multi CAS

Molecular Formula

C14FH11O2

Molecular Weight

230.230000

Exact Mass

230.074308

InChI

InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17)

InChIKey

ZLLZRKQQNGBXRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.07

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

63.18

TPSA

37.3

LogP / Solubility

WLOGP

3.12

MLOGP

2.75

XLogP3

3.6

Consensus LogP

3.16

Log S (ESOL)

-3.56

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.7

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4.11

Class (SILICOS-IT)

Slightly 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)

-1.91

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

(2-FLUORO-4-BIPHENYL)ACETIC ACID

Product Availability

Historical Supply Reference

Reference Pack Sizes

5001-96-7 / 2-(3-fluoro-4-phenylphenyl)acetic acid

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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