CAS 68208-26-4 3-AMINO-3-(4-CHLORO-PHENYL)-PROPAN-1-OL molecular structure

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CAS RN: 68208-26-4

3-AMINO-3-(4-CHLORO-PHENYL)-PROPAN-1-OL

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.20250112	100mg / 250mg / 500mg / 1g	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-177933

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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: 5g
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 68208-26-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥95%	0 Out of Stock	Shenzhen	Inquiry

68208-26-4 / 3-amino-3-(4-chlorophenyl)propan-1-ol

Standard CAS: 68208-26-4 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

68208-26-4

Multi CAS

Yes

Molecular Formula

C9H12CLNO

Molecular Weight

185.650000

Exact Mass

185.060742

InChI

InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2

InChIKey

JGNACDMQJLVKIU-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

50.08

TPSA

46.25

LogP / Solubility

WLOGP

1.72

MLOGP

1.51

XLogP3

1.1

Consensus LogP

1.44

Log S (ESOL)

-2.25

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.33

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.66

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.63

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

3-AMINO-3-(4-CHLORO-PHENYL)-PROPAN-1-OL

Product Availability

Historical Supply Reference

Reference Pack Sizes

68208-26-4 / 3-amino-3-(4-chlorophenyl)propan-1-ol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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