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CAS 16820-54-5 4-Methoxy-1-naphthalenemethanol molecular structure lightbox
CAS RN: 16820-54-5

4-Methoxy-1-naphthalenemethanol

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251113 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251210 25g Out of stock Inquiry
Batchno.20250127 5g In stock Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-073332
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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: ≥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 16820-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

16820-54-5 / (4-methoxynaphthalen-1-yl)methanol

Standard CAS: 16820-54-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16820-54-5
Multi CAS
No
Molecular Formula
C12H12O2
Molecular Weight
188.220000
Exact Mass
188.083730
SMILES
COC1=CC=C(C2=CC=CC=C21)CO
InChI
InChI=1S/C12H12O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7,13H,8H2,1H3
InChIKey
VBXSDYNXURBEQH-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
H-bond donors
1
Molar refractivity
56.42
TPSA
29.46

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.21

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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