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CAS 544436-47-7 2,7-Dibromo-9-dodecylcarbazole molecular structure lightbox
CAS RN: 544436-47-7

2,7-Dibromo-9-dodecylcarbazole

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 1g In stock Inquiry
Batchno.20250629 250mg In stock Inquiry
Batchno.20260420 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 50mg Out of stock 5-7 business days Inquiry
  • Product code: ICTD4661
  • Purity/Analytical Methods: >98.0%(GC)
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544436-47-7 / 2,7-dibromo-9-dodecylcarbazole

Standard CAS: 544436-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
544436-47-7
Multi CAS
No
Molecular Formula
C24H31BR2N
Molecular Weight
493.300000
Exact Mass
493.080280
InChI
InChI=1S/C24H31Br2N/c1-2-3-4-5-6-7-8-9-10-11-16-27-23-17-19(25)12-14-21(23)22-15-13-20(26)18-24(22)27/h12-15,17-18H,2-11,16H2,1H3
InChIKey
NBJGUMLGJPJNLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
126.69
TPSA
4.93

LogP / Solubility

WLOGP
9.24
MLOGP
8.17
XLogP3
10.2
Consensus LogP
9.2
Log S (ESOL)
-8.35
Class (ESOL)
Insoluble
Log S (Ali)
-10.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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