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CAS 850534-66-6 8(4′-bromophenyl)-1,3,5,7-tetramethyl-BODIPY molecular structure lightbox
CAS RN: 850534-66-6

8(4′-bromophenyl)-1,3,5,7-tetramethyl-BODIPY

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250406 50mg / 200mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251226 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS850534-66-6
  • Purity/Analytical Methods: >99.0%
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850534-66-6 / 8-(4-bromophenyl)-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene

Standard CAS: 850534-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850534-66-6
Multi CAS
No
Molecular Formula
B2C19H18N2Rf2
Molecular Weight
403.100000
Exact Mass
402.071450
InChI
InChI=1S/C19H18BBrF2N2/c1-11-9-13(3)24-18(11)17(15-5-7-16(21)8-6-15)19-12(2)10-14(4)25(19)20(24,22)23/h5-10H,1-4H3
InChIKey
HTJBCXQZSYELJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
102.14
TPSA
7.94

LogP / Solubility

WLOGP
5.3
MLOGP
4.69
XLogP3
5.3
Consensus LogP
5.1
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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