[email protected]
CAS 331846-99-2 (S)-3-AMino-4-(1-naphthyl)-butyric acid-HCl molecular structure lightbox
CAS RN: 331846-99-2

(S)-3-AMino-4-(1-naphthyl)-butyric acid-HCl

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251129 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250713 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250702 250mg In stock Shenzhen Inquiry
Batchno.20250904 5g Out of stock Inquiry
  • Product code: SSC-139127
GET A QUOTE
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
Request Bulk Quote

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 331846-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

331846-99-2 / (3S)-3-amino-4-naphthalen-1-ylbutanoic acid;hydrochloride

Standard CAS: 331846-99-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
331846-99-2
Multi CAS
Yes
Molecular Formula
C14H16CLNO2
Molecular Weight
265.730000
Exact Mass
265.086956
InChI
InChI=1S/C14H15NO2.ClH/c15-12(9-14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11;/h1-7,12H,8-9,15H2,(H,16,17);1H/t12-;/m0./s1
InChIKey
AZXBBARHJITLTI-YDALLXLXSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
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
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us