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CAS 728034-24-0 NHS-BiB molecular structure lightbox
CAS RN: 728034-24-0

NHS-BiB

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 1g In stock Inquiry
Batchno.20260202 250mg Out of stock Inquiry
Batchno.20250330 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 100mg In stock Shanghai Inquiry
Batchno.20260624 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260520 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260625 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS728034-24-0
  • Purity/Analytical Methods: >99.0%
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728034-24-0 / (2,5-dioxopyrrolidin-1-yl) 2-bromo-2-methylpropanoate

Standard CAS: 728034-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
728034-24-0
Multi CAS
No
Molecular Formula
BC8H10O4Rn
Molecular Weight
264.070000
Exact Mass
262.979320
InChI
InChI=1S/C8H10BrNO4/c1-8(2,9)7(13)14-10-5(11)3-4-6(10)12/h3-4H2,1-2H3
InChIKey
QBJWGGWPQPRVKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.19
TPSA
63.68

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
0.6
Consensus LogP
0.68
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-3.79

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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