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CAS 100393-41-7 3-AMINO-3-NAPHTHALEN-1-YL-PROPIONIC ACID molecular structure lightbox
CAS RN: 100393-41-7

3-AMINO-3-NAPHTHALEN-1-YL-PROPIONIC ACID

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 1g In stock Inquiry
Batchno.20251123 250mg In stock Inquiry
Batchno.20260515 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250120 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000950
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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 100393-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

100393-41-7 / 3-amino-3-naphthalen-1-ylpropanoic acid

3-amino-3-(naphthalen-1-yl)propanoic acid | DTXSID80377489 | RefChem:276414

Standard CAS: 100393-41-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100393-41-7
Multi CAS
Yes
Molecular Formula
C13H13NO2
Molecular Weight
215.250000
Exact Mass
215.094629
SMILES
C1=CC=C2C(=C1)C=CC=C2C(CC(=O)O)N
InChI
InChI=1S/C13H13NO2/c14-12(8-13(15)16)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,14H2,(H,15,16)
InChIKey
BIOQBKBTOAMMDG-UHFFFAOYSA-N
Synonyms
3-amino-3-(naphthalen-1-yl)propanoic acid DTXSID80377489 RefChem:276414 DTXCID80328517 3-amino-3-(1-naphthyl)propanoic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.13
TPSA
63.32

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
-0.7
Consensus LogP
1.22
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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