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CAS 20747-49-3 (-)-NEOMENTHOL molecular structure lightbox
CAS RN: 20747-49-3

(-)-NEOMENTHOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS20747-49-3
  • Purity/Analytical Methods: >99.0%
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20747-49-3 / (1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol

Standard CAS: 20747-49-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20747-49-3
Multi CAS
No
Molecular Formula
C10H20O
Molecular Weight
156.260000
Exact Mass
156.151415
SMILES
C[C@H]1CC[C@@H]([C@@H](C1)O)C(C)C
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKey
NOOLISFMXDJSKH-IVZWLZJFSA-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
47.35
TPSA
20.23

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
3
Consensus LogP
2.53
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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