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CAS 2331211-57-3 Cyclohexanol, 3-amino-, hydrochloride (1:1), (1S,3R)- molecular structure lightbox
CAS RN: 2331211-57-3

Cyclohexanol, 3-amino-, hydrochloride (1:1), (1S,3R)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250509 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-113031
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g
  • Available purity: >98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2331211-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Hong Kong Inquiry
0.25g >98% 1 In Stock Beijing Inquiry

2331211-57-3 / 3-aminocyclohexan-1-ol;hydrochloride

Standard CAS: 2331211-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2331211-57-3
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
C1CC(CC(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
InChIKey
NJGXTVICXVECGR-UHFFFAOYSA-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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