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CAS 100184-66-5 5-Amino-2-naphthoic acid molecular structure lightbox
CAS RN: 100184-66-5

5-Amino-2-naphthoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250206 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-000590
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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 100184-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

100184-66-5 / 5-aminonaphthalene-2-carboxylic acid

5-Amino-2-naphthoic acid | 5-aminonaphthalene-2-carboxylic acid | MFCD17012449

Standard CAS: 100184-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100184-66-5
Multi CAS
No
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
SMILES
C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)N
InChI
InChI=1S/C11H9NO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,12H2,(H,13,14)
InChIKey
XVOBQVZYYPJXCK-UHFFFAOYSA-N
Synonyms
5-Amino-2-naphthoic acid 5-aminonaphthalene-2-carboxylic acid MFCD17012449 NSC127022 SCHEMBL341300

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.32
TPSA
63.32

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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