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CAS 57159-62-3 N-SUCCINIMIDYL 3-(BROMOACETAMIDO)PROPIONATE molecular structure lightbox
CAS RN: 57159-62-3

N-SUCCINIMIDYL 3-(BROMOACETAMIDO)PROPIONATE

Product Availability

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251206 100mg Out of stock Inquiry
Batchno.20250507 1g In stock Shanghai Inquiry
Batchno.20251105 250mg In stock Shanghai Inquiry
Batchno.20251221 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251210 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250725 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS57159-62-3
  • Purity/Analytical Methods: >99.0%
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57159-62-3 / (2,5-dioxopyrrolidin-1-yl) 3-[(2-bromoacetyl)amino]propanoate

Standard CAS: 57159-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57159-62-3
Multi CAS
Yes
Molecular Formula
BC9H11O5Rn2
Molecular Weight
307.100000
Exact Mass
305.985130
InChI
InChI=1S/C9H11BrN2O5/c10-5-6(13)11-4-3-9(16)17-12-7(14)1-2-8(12)15/h1-5H2,(H,11,13)
InChIKey
WGMMKWFUXPMTRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
58.6
TPSA
92.78

LogP / Solubility

WLOGP
-0.51
MLOGP
-0.43
XLogP3
-0.7
Consensus LogP
-0.55
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-4.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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