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CAS 21003-36-1 Trans-2-Methylcyclopropanemethanol molecular structure lightbox
CAS RN: 21003-36-1

Trans-2-Methylcyclopropanemethanol

  • Product code: SSC-099868
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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 21003-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

21003-36-1 / [(1S,2S)-2-methylcyclopropyl]methanol

Standard CAS: 21003-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21003-36-1
Multi CAS
No
Molecular Formula
C5H10O
Molecular Weight
86.130000
Exact Mass
86.073165
SMILES
C[C@H]1C[C@@H]1CO
InChI
InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1
InChIKey
SHEINYPABNPRPM-CRCLSJGQSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.36
TPSA
20.23

LogP / Solubility

WLOGP
0.63
MLOGP
0.54
XLogP3
0.7
Consensus LogP
0.62
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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