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CAS 151144-96-6 L-2-AMINO-4-BROMO-4-PENTENOIC ACID molecular structure lightbox
CAS RN: 151144-96-6

L-2-AMINO-4-BROMO-4-PENTENOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-061028
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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: 0.25g
  • 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 151144-96-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

151144-96-6 / (2S)-2-amino-4-bromopent-4-enoic acid

Standard CAS: 151144-96-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151144-96-6
Multi CAS
No
Molecular Formula
C5H8BrNO2
Molecular Weight
194.030000
Exact Mass
192.973840
SMILES
C=C(C[C@@H](C(=O)O)N)Br
InChI
InChI=1S/C5H8BrNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1
InChIKey
YTCSGBSYHNQHFD-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.3
TPSA
63.32

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
-1.8
Consensus LogP
-0.16
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.41

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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