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CAS 14093-86-8 Naphthalene, 1-methoxy-2-methyl- (6CI,7CI,8CI,9CI) molecular structure lightbox
CAS RN: 14093-86-8

Naphthalene, 1-methoxy-2-methyl- (6CI,7CI,8CI,9CI)

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 100mg In stock Shanghai Inquiry
Batchno.20250205 10g Out of stock Inquiry
Batchno.20250428 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250824 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260318 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS14093-86-8
  • Purity/Analytical Methods: >99.0%
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14093-86-8 / 1-methoxy-2-methylnaphthalene

Standard CAS: 14093-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14093-86-8
Multi CAS
No
Molecular Formula
C12H12O
Molecular Weight
172.220000
Exact Mass
172.088815
SMILES
CC1=C(C2=CC=CC=C2C=C1)OC
InChI
InChI=1S/C12H12O/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-2/h3-8H,1-2H3
InChIKey
GXIFCLBPAVRDAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.24
TPSA
9.23

LogP / Solubility

WLOGP
3.16
MLOGP
2.77
XLogP3
3.5
Consensus LogP
3.14
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
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
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

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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