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CAS 61-31-4 Sodium 1-Naphthaleneacetate molecular structure lightbox
CAS RN: 61-31-4

Sodium 1-Naphthaleneacetate

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250726 25g Out of stock 8-10 business days Inquiry
Batchno.20250803 5g In stock Shanghai Inquiry
  • Product code: SSC-169693
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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: 10g
  • 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 61-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

61-31-4 / sodium 2-naphthalen-1-ylacetate

Standard CAS: 61-31-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61-31-4
Multi CAS
Yes
Molecular Formula
C12H9NAO2
Molecular Weight
208.190000
Exact Mass
208.050024
InChI
InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKey
CJUUXVFWKYRHAR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.66
TPSA
40.13

LogP / Solubility

WLOGP
-1.86
MLOGP
-1.64
XLogP3
-1.86
Consensus LogP
-1.79
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.29
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.31

Drug-likeness / Medicinal Chemistry

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

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