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CAS 2222970-00-3 2-Bromo-9,9-dimethyl-5-phenyl-9H-fluorene molecular structure lightbox
CAS RN: 2222970-00-3

2-Bromo-9,9-dimethyl-5-phenyl-9H-fluorene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250428 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-106933
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2222970-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

2222970-00-3 / 2-bromo-9,9-dimethyl-5-phenylfluorene

Standard CAS: 2222970-00-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2222970-00-3
Multi CAS
No
Molecular Formula
C21H17Br
Molecular Weight
349.300000
Exact Mass
348.051360
SMILES
CC1(C2=CC=CC(=C2C3=C1C=C(C=C3)Br)C4=CC=CC=C4)C
InChI
InChI=1S/C21H17Br/c1-21(2)18-10-6-9-16(14-7-4-3-5-8-14)20(18)17-12-11-15(22)13-19(17)21/h3-13H,1-2H3
InChIKey
MNLKPUYYGLJSRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
97.14
TPSA
0.0000

LogP / Solubility

WLOGP
6.42
MLOGP
5.67
XLogP3
6.7
Consensus LogP
6.26
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
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
No
Log Kp (skin permeation)
-0.29

Drug-likeness / Medicinal Chemistry

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

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