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CAS 153451-37-7 (S)-But-3-en-2-amine molecular structure lightbox
CAS RN: 153451-37-7

(S)-But-3-en-2-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-062922
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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 153451-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

153451-37-7 / (2S)-but-3-en-2-amine;hydrochloride

Standard CAS: 153451-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153451-37-7
Multi CAS
No
Molecular Formula
C4H10ClN
Molecular Weight
107.580000
Exact Mass
107.050177
SMILES
C[C@@H](C=C)N.Cl
InChI
InChI=1S/C4H9N.ClH/c1-3-4(2)5;/h3-4H,1,5H2,2H3;1H/t4-;/m0./s1
InChIKey
HRJVNHUMBUVTND-WCCKRBBISA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.09
TPSA
26.02

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
0.94
Consensus LogP
0.9
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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