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CAS 394735-23-0 3-Amino-4-cyclobutyl-2-hydroxybutanamide Hydrochloride (mixture of diastereoisomers) molecular structure lightbox
CAS RN: 394735-23-0

3-Amino-4-cyclobutyl-2-hydroxybutanamide Hydrochloride (mixture of diastereoisomers)

  • Product code: SSC-147129
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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: 5g
  • 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 394735-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

394735-23-0 / 3-amino-4-cyclobutyl-2-hydroxybutanamide;hydrochloride

Standard CAS: 394735-23-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
394735-23-0
Multi CAS
Yes
Molecular Formula
C8H17CLN2O2
Molecular Weight
208.680000
Exact Mass
208.097856
InChI
InChI=1S/C8H16N2O2.ClH/c9-6(7(11)8(10)12)4-5-2-1-3-5;/h5-7,11H,1-4,9H2,(H2,10,12);1H
InChIKey
RPOOMVSVQPMDGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.38
TPSA
89.34

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.2
XLogP3
-0.23
Consensus LogP
-0.22
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.15

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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