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CAS 72948-89-1 4-(hydroxyMethyl)bicyclo[2.2.2]octan-1-ol molecular structure lightbox
CAS RN: 72948-89-1

4-(hydroxyMethyl)bicyclo[2.2.2]octan-1-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-182405
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72948-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

72948-89-1 / 4-(hydroxymethyl)bicyclo[2.2.2]octan-1-ol

Standard CAS: 72948-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72948-89-1
Multi CAS
No
Molecular Formula
C9H16O2
Molecular Weight
156.220000
Exact Mass
156.115030
InChI
InChI=1S/C9H16O2/c10-7-8-1-4-9(11,5-2-8)6-3-8/h10-11H,1-7H2
InChIKey
SLPTVDBWTSIOKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.17
TPSA
40.46

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.5
Consensus LogP
0.83
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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