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CAS 5859-93-8 2,6-Bis(hydroxymethyl)naphthalene molecular structure lightbox
CAS RN: 5859-93-8

2,6-Bis(hydroxymethyl)naphthalene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 100mg / 200mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-166867
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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 5859-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

5859-93-8 / [6-(hydroxymethyl)naphthalen-2-yl]methanol

Standard CAS: 5859-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5859-93-8
Multi CAS
No
Molecular Formula
C12H12O2
Molecular Weight
188.220000
Exact Mass
188.083730
InChI
InChI=1S/C12H12O2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9/h1-6,13-14H,7-8H2
InChIKey
SSFGHKDDKYEERH-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
2
Molar refractivity
55.79
TPSA
40.46

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.57

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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