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CAS 438201-29-7 9H-Fluorene, 2-bromo-9,9-bis(6-bromohexyl)- molecular structure lightbox
CAS RN: 438201-29-7

9H-Fluorene, 2-bromo-9,9-bis(6-bromohexyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 1g / 2g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS438201-29-7
  • Purity/Analytical Methods: >99.0%
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438201-29-7 / 2-bromo-9,9-bis(6-bromohexyl)fluorene

Standard CAS: 438201-29-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
438201-29-7
Multi CAS
No
Molecular Formula
C25H31BR3
Molecular Weight
571.200000
Exact Mass
569.995540
InChI
InChI=1S/C25H31Br3/c26-17-9-3-1-7-15-25(16-8-2-4-10-18-27)23-12-6-5-11-21(23)22-14-13-20(28)19-24(22)25/h5-6,11-14,19H,1-4,7-10,15-18H2
InChIKey
NXZLCKGNRSHEGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
12
Molar refractivity
134.12
TPSA
0.0000

LogP / Solubility

WLOGP
9.41
MLOGP
8.32
XLogP3
10.2
Consensus LogP
9.31
Log S (ESOL)
-8.83
Class (ESOL)
Insoluble
Log S (Ali)
-11.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.47

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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