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CAS 1612172-92-5 cyclo amine molecular structure lightbox
CAS RN: 1612172-92-5

cyclo amine

  • Product code: SSC-068910
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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: 5g
  • 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 1612172-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1612172-92-5 / (3R,4R)-4-methoxypiperidin-3-ol

Standard CAS: 1612172-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1612172-92-5
Multi CAS
No
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
SMILES
CO[C@@H]1CCNC[C@H]1O
InChI
InChI=1S/C6H13NO2/c1-9-6-2-3-7-4-5(6)8/h5-8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
AJLZLMULMPUCFT-WDSKDSINSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.29
TPSA
41.49

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.58
XLogP3
-0.8
Consensus LogP
-0.67
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.98

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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