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CAS 57471-69-9 H-ASN-NH2 HCL molecular structure lightbox
CAS RN: 57471-69-9

H-ASN-NH2 HCL

  • Product code: SSC-165629
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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 57471-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

57471-69-9 / (2S)-2-aminobutanediamide;hydrochloride

Standard CAS: 57471-69-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57471-69-9
Multi CAS
Yes
Molecular Formula
C4H10CLN3O2
Molecular Weight
167.590000
Exact Mass
167.046154
InChI
InChI=1S/C4H9N3O2.ClH/c5-2(4(7)9)1-3(6)8;/h2H,1,5H2,(H2,6,8)(H2,7,9);1H/t2-;/m0./s1
InChIKey
SLBULRLSTNDQED-DKWTVANSSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.23
TPSA
112.2

LogP / Solubility

WLOGP
-1.9
MLOGP
-1.68
XLogP3
-1.9
Consensus LogP
-1.83
Log S (ESOL)
0.52
Class (ESOL)
Highly soluble
Log S (Ali)
0.44
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.47
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.09

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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