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CAS 3900-49-0 2,5-Dimethoxynaphthalene molecular structure lightbox
CAS RN: 3900-49-0

2,5-Dimethoxynaphthalene

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 100g In stock Shenzhen Inquiry
Batchno.20250710 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250202 25g In stock Shanghai Inquiry
Batchno.20260301 500g Out of stock Inquiry
Batchno.20250927 5g In stock Shanghai Inquiry
  • Product code: SSC-146619
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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: 100g
  • Available purity: ≥97%
  • 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 3900-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

3900-49-0 / 1,6-dimethoxynaphthalene

Standard CAS: 3900-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3900-49-0
Multi CAS
No
Molecular Formula
C12H12O2
Molecular Weight
188.220000
Exact Mass
188.083730
InChI
InChI=1S/C12H12O2/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-8H,1-2H3
InChIKey
RBUFUWIWCCOVOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.05
TPSA
18.46

LogP / Solubility

WLOGP
2.86
MLOGP
2.51
XLogP3
3.6
Consensus LogP
2.99
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-1.84

Drug-likeness / Medicinal Chemistry

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

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