CAS RN: 6549-57-1
8-Methyl-1-naphthalenecarboxaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250711 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250306 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250714 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251227 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250602 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS6549-57-1
- Purity/Analytical Methods: >99.0%
6549-57-1 / 8-methylnaphthalene-1-carbaldehyde
Basic Information
CAS
6549-57-1
Multi CAS
Yes
Molecular Formula
C12H10O
Molecular Weight
170.210000
Exact Mass
170.073165
InChI
InChI=1S/C12H10O/c1-9-4-2-5-10-6-3-7-11(8-13)12(9)10/h2-8H,1H3
InChIKey
RHOGHORSTBGFPJ-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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- Product Code: starshine_CAS6550-19-2
- Purity/Analytical method: >99.0%
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