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CAS 3564-98-5 TRANS-P-MENTHANE-3,8-DIOL molecular structure lightbox
CAS RN: 3564-98-5

TRANS-P-MENTHANE-3,8-DIOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS3564-98-5
  • Purity/Analytical Methods: >99.0%
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3564-98-5 / (1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

Standard CAS: 3564-98-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3564-98-5
Multi CAS
Yes
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
InChI
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKey
LMXFTMYMHGYJEI-IWSPIJDZSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.81
TPSA
40.46

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
2.2
Consensus LogP
1.7
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.67

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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