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CAS 50915-65-6 methyl 3-methyl-2-naphthoate molecular structure lightbox
CAS RN: 50915-65-6

methyl 3-methyl-2-naphthoate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINM926700
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50915-65-6 / methyl 3-methylnaphthalene-2-carboxylate

Standard CAS: 50915-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50915-65-6
Multi CAS
No
Molecular Formula
C13H12O2
Molecular Weight
200.230000
Exact Mass
200.083730
InChI
InChI=1S/C13H12O2/c1-9-7-10-5-3-4-6-11(10)8-12(9)13(14)15-2/h3-8H,1-2H3
InChIKey
ZPARTRGQTCMYGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.02
TPSA
26.3

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
3.4
Consensus LogP
2.97
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

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

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