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CAS 793632-53-8 rel-(1R,2R)-2-Amino-1-methylcyclopentanol molecular structure lightbox
CAS RN: 793632-53-8

rel-(1R,2R)-2-Amino-1-methylcyclopentanol

  • Product code: SSC-188538
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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 793632-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

793632-53-8 / cis-(1R,2R)-2-amino-1-methylcyclopentan-1-ol

Standard CAS: 793632-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
793632-53-8
Multi CAS
Yes
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
InChI
InChI=1S/C6H13NO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKey
KKBCPZUWBKCECT-PHDIDXHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.45
TPSA
46.25

LogP / Solubility

WLOGP
0.25
MLOGP
0.21
XLogP3
-0.2
Consensus LogP
0.09
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-3.25

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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