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CAS 124555-43-7 TRANS-3-AMINO-CYCLOHEXANOL HYDROCHLORIDE molecular structure lightbox
CAS RN: 124555-43-7

TRANS-3-AMINO-CYCLOHEXANOL HYDROCHLORIDE

  • Product code: SSC-028433
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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 124555-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

124555-43-7 / trans-(1S,3S)-3-aminocyclohexan-1-ol;hydrochloride

Standard CAS: 124555-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124555-43-7
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
C1C[C@@H](C[C@H](C1)O)N.Cl
InChI
InChI=1S/C6H13NO.ClH/c7-5-2-1-3-6(8)4-5;/h5-6,8H,1-4,7H2;1H/t5-,6-;/m0./s1
InChIKey
NJGXTVICXVECGR-GEMLJDPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.7
TPSA
46.25

LogP / Solubility

WLOGP
0.67
MLOGP
0.58
XLogP3
0.67
Consensus LogP
0.64
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.17

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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