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CAS 71418-44-5 Bromobimane molecular structure lightbox
CAS RN: 71418-44-5

Bromobimane

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 100mg In stock Shanghai Inquiry
Batchno.20250130 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250906 250mg In stock Shanghai Inquiry
Batchno.20260409 25mg In stock Shanghai Inquiry
Batchno.20250619 50mg In stock Shanghai Inquiry
Batchno.20250817 5g Out of stock Inquiry
  • Product code: ICTB4220
  • Purity/Analytical Methods: >98.0%(HPLC)
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71418-44-5 / 7-(bromomethyl)-1,2,6-trimethylpyrazolo[1,2-a]pyrazole-3,5-dione

Standard CAS: 71418-44-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71418-44-5
Multi CAS
Yes
Molecular Formula
BC10H11O2Rn2
Molecular Weight
271.110000
Exact Mass
270.000390
InChI
InChI=1S/C10H11BrN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3
InChIKey
AHEWZZJEDQVLOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
8
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
61.41
TPSA
42.96

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
1.4
Consensus LogP
1.11
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.65

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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