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CAS 138732-32-8 tert-Butyl3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate molecular structure lightbox
CAS RN: 138732-32-8

tert-Butyl3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250102 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-048678
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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: 0.25g
  • 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 138732-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

138732-32-8 / tert-butyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate

Standard CAS: 138732-32-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138732-32-8
Multi CAS
No
Molecular Formula
C11H18O3
Molecular Weight
198.260000
Exact Mass
198.125594
SMILES
CC(C)(C)OC(=O)C12CC(C1)(C2)CO
InChI
InChI=1S/C11H18O3/c1-9(2,3)14-8(13)11-4-10(5-11,6-11)7-12/h12H,4-7H2,1-3H3
InChIKey
WFLHKGILXGAQKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.65
TPSA
46.53

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
0.9
Consensus LogP
1.23
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.87

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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