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CAS 60462-27-3 ((1S,2R,3R,8S)-Cubane-1,4-diyl)dimethanol molecular structure lightbox
CAS RN: 60462-27-3

((1S,2R,3R,8S)-Cubane-1,4-diyl)dimethanol

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251007 1g In stock Shanghai Inquiry
Batchno.20250617 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250804 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS60462-27-3
  • Purity/Analytical Methods: >99.0%
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60462-27-3 / [4-(hydroxymethyl)cuban-1-yl]methanol

Standard CAS: 60462-27-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60462-27-3
Multi CAS
Yes
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
InChI
InChI=1S/C10H12O2/c11-1-9-3-6-4(9)8-5(9)7(3)10(6,8)2-12/h3-8,11-12H,1-2H2
InChIKey
AWRJQAGOUMAUGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.98
TPSA
40.46

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.26
XLogP3
-0.5
Consensus LogP
-0.35
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very 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)
-3.93

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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