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CAS 57322-45-9 1,4-NAPHTHALENEDIMETHANOL molecular structure lightbox
CAS RN: 57322-45-9

1,4-NAPHTHALENEDIMETHANOL

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20251113 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260312 1g In stock Shanghai, Wuhan Inquiry
Batchno.20260312 250mg In stock Shanghai Inquiry
Batchno.20250529 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS57322-45-9
  • Purity/Analytical Methods: >99.0%
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57322-45-9 / [4-(hydroxymethyl)naphthalen-1-yl]methanol

Standard CAS: 57322-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57322-45-9
Multi CAS
No
Molecular Formula
C12H12O2
Molecular Weight
188.220000
Exact Mass
188.083730
InChI
InChI=1S/C12H12O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6,13-14H,7-8H2
InChIKey
JAKLGXVFNYYOSU-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
1.9
Consensus LogP
1.77
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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