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CAS 850252-34-5 (3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide Hydrochloride molecular structure lightbox
CAS RN: 850252-34-5

(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide Hydrochloride

  • Product code: SSC-192908
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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: ＞97%
  • 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 850252-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

850252-34-5 / 3-amino-N-cyclopropyl-2-hydroxyhexanamide;hydrochloride

Standard CAS: 850252-34-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850252-34-5
Multi CAS
Yes
Molecular Formula
C9H19CLN2O2
Molecular Weight
222.710000
Exact Mass
222.113506
InChI
InChI=1S/C9H18N2O2.ClH/c1-2-3-7(10)8(12)9(13)11-6-4-5-6;/h6-8,12H,2-5,10H2,1H3,(H,11,13);1H
InChIKey
LMSDLVWKLIICSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
57.3
TPSA
75.35

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.18
Consensus LogP
0.17
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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