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CAS 43109-77-9 o-AdaMantylanisole molecular structure lightbox
CAS RN: 43109-77-9

o-AdaMantylanisole

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 25mg / 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS43109-77-9
  • Purity/Analytical Methods: >99.0%
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43109-77-9 / 1-(2-methoxyphenyl)adamantane

Standard CAS: 43109-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
43109-77-9
Multi CAS
No
Molecular Formula
C17H22O
Molecular Weight
242.360000
Exact Mass
242.167065
InChI
InChI=1S/C17H22O/c1-18-16-5-3-2-4-15(16)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14H,6-11H2,1H3
InChIKey
HYSZKSPAPGPYFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
72.84
TPSA
9.23

LogP / Solubility

WLOGP
4.16
MLOGP
3.67
XLogP3
5.3
Consensus LogP
4.38
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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