CAS 1446711-81-4 AG-10 1446711-81-4 molecular structure

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CAS RN: 1446711-81-4

AG-10 1446711-81-4

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6 package records6 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250518	100mg	In stock	Shanghai	Inquiry
Batchno.20250112	10mg	In stock	Shanghai	Inquiry
Batchno.20260627	250mg	In stock	Shanghai	Inquiry
Batchno.20251004	25mg	In stock	Shanghai	Inquiry
Batchno.20260527	50mg	In stock	Shanghai	Inquiry
Batchno.20251231	5mg	In stock	Shanghai	Inquiry

Product code: SSC-055928

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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 1446711-81-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.25g	≥95%	0 Out of Stock	Shanghai	Inquiry

1446711-81-4 / 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid

Standard CAS: 1446711-81-4 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1446711-81-4

Multi CAS

Molecular Formula

C15H17FN2O3

Molecular Weight

292.300000

Exact Mass

292.122321

SMILES

CC1=C(C(=NN1)C)CCCOC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)

InChIKey

WBFUHHBPNXWNCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.33

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

75.24

TPSA

75.21

LogP / Solubility

WLOGP

2.88

MLOGP

2.54

XLogP3

2.9

Consensus LogP

2.77

Log S (ESOL)

-3.46

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.03

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.67

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)

-2.46

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

2.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501