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CAS 53369-17-8 (-)-TRANS-MYRTANOL molecular structure lightbox
CAS RN: 53369-17-8

(-)-TRANS-MYRTANOL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS53369-17-8
  • Purity/Analytical Methods: >99.0%
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53369-17-8 / [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol

Standard CAS: 53369-17-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53369-17-8
Multi CAS
Yes
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
InChI
InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKey
LDWAIHWGMRVEFR-VGMNWLOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.19
TPSA
20.23

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2.5
Consensus LogP
2.12
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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