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CAS 1533519-87-7 1-aMino-4-cyclopropylnaphthalene oxalate molecular structure lightbox
CAS RN: 1533519-87-7

1-aMino-4-cyclopropylnaphthalene oxalate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 200mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-062835
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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 1533519-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1533519-87-7 / 4-cyclopropylnaphthalen-1-amine;oxalic acid

Standard CAS: 1533519-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1533519-87-7
Multi CAS
No
Molecular Formula
C15H15NO4
Molecular Weight
273.280000
Exact Mass
273.100108
SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N.C(=O)(C(=O)O)O
InChI
InChI=1S/C13H13N.C2H2O4/c14-13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13;3-1(4)2(5)6/h1-4,7-9H,5-6,14H2;(H,3,4)(H,5,6)
InChIKey
DDBGBBLAOJBGGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
75.61
TPSA
100.62

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.46
Consensus LogP
2.36
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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