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CAS 58717-02-5 H-D-CHA-OH molecular structure lightbox
CAS RN: 58717-02-5

H-D-CHA-OH

  • Product code: SSC-167036
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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: 10g, 5g, 1g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 58717-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
25g ≥95% 1 In Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

58717-02-5 / 2-amino-3-cyclohexylpropanoic acid

Standard CAS: 58717-02-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58717-02-5
Multi CAS
Yes
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
InChI
InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
InChIKey
ORQXBVXKBGUSBA-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.8
TPSA
63.32

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
-0.3
Consensus LogP
0.76
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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

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