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CAS 33738-48-6 4-METHYL-1-NAPHTHALDEHYDE molecular structure lightbox
CAS RN: 33738-48-6

4-METHYL-1-NAPHTHALDEHYDE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250317 100mg In stock Shanghai Inquiry
Batchno.20250908 100mg / 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20260202 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260413 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260103 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS33738-48-6
  • Purity/Analytical Methods: >99.0%
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33738-48-6 / 4-methylnaphthalene-1-carbaldehyde

Standard CAS: 33738-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33738-48-6
Multi CAS
No
Molecular Formula
C12H10O
Molecular Weight
170.210000
Exact Mass
170.073165
InChI
InChI=1S/C12H10O/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-8H,1H3
InChIKey
LANRGTXVAPBSIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.07
TPSA
17.07

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
3
Consensus LogP
2.85
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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