CAS 331847-01-9 (S)-3-AMino-4-(2-naphthyl)-butyric acid-HCl molecular structure

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CAS RN: 331847-01-9

(S)-3-AMino-4-(2-naphthyl)-butyric acid-HCl

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.20250413	100mg / 250mg	Out of stock	30 business days	Inquiry

Product code: SSC-139129

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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 331847-01-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shanghai	Inquiry

331847-01-9 / (3S)-3-amino-4-naphthalen-2-ylbutanoic acid;hydrochloride

Standard CAS: 331847-01-9 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

331847-01-9

Multi CAS

Yes

Molecular Formula

C14H16CLNO2

Molecular Weight

265.730000

Exact Mass

265.086956

InChI

InChI=1S/C14H15NO2.ClH/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10;/h1-7,13H,8-9,15H2,(H,16,17);1H/t13-;/m0./s1

InChIKey

BWSJJEOZKOCDCT-ZOWNYOTGSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.21

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

75.13

TPSA

63.32

LogP / Solubility

WLOGP

2.61

MLOGP

2.3

XLogP3

2.61

Consensus LogP

2.51

Log S (ESOL)

-3.28

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.62

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4.03

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

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.49

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

(S)-3-AMino-4-(2-naphthyl)-butyric acid-HCl

Product Availability

Historical Supply Reference

Reference Pack Sizes

331847-01-9 / (3S)-3-amino-4-naphthalen-2-ylbutanoic acid;hydrochloride

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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