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CAS 1086641-47-5 9-(3-Bromophenyl)-9H-fluoren-9-ol molecular structure lightbox
CAS RN: 1086641-47-5

9-(3-Bromophenyl)-9H-fluoren-9-ol

  • Product code: SSC-009979
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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: 1g
  • Available purity: ≥95%
  • 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 1086641-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1086641-47-5 / 9-(3-bromophenyl)fluoren-9-ol

9-(3-bromophenyl)-9H-Fluoren-9-ol | 9-(3-bromophenyl)fluoren-9-ol | MFCD16659044

Standard CAS: 1086641-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086641-47-5
Multi CAS
No
Molecular Formula
C19H13BrO
Molecular Weight
337.200000
Exact Mass
336.014980
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=CC=C4)Br)O
InChI
InChI=1S/C19H13BrO/c20-14-7-5-6-13(12-14)19(21)17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12,21H
InChIKey
UKGUBHXRUOJAMM-UHFFFAOYSA-N
Synonyms
9-(3-bromophenyl)-9H-Fluoren-9-ol 9-(3-bromophenyl)fluoren-9-ol MFCD16659044 9-(3-Bromophenyl)-9'-ol-fluorene SCHEMBL3923017

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.12
TPSA
20.23

LogP / Solubility

WLOGP
4.71
MLOGP
4.16
XLogP3
4.6
Consensus LogP
4.49
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.43

Drug-likeness / Medicinal Chemistry

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

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