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CAS 369599-41-7 5,5′-di(9H-fluoren-2-yl)-2,2′-bithiophene molecular structure lightbox
CAS RN: 369599-41-7

5,5′-di(9H-fluoren-2-yl)-2,2′-bithiophene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260301 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS369599-41-7
  • Purity/Analytical Methods: >99.0%
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369599-41-7 / 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene

Standard CAS: 369599-41-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
369599-41-7
Multi CAS
No
Molecular Formula
C34H22S2
Molecular Weight
494.700000
Exact Mass
494.116293
InChI
InChI=1S/C34H22S2/c1-3-7-27-21(5-1)17-25-19-23(9-11-29(25)27)31-13-15-33(35-31)34-16-14-32(36-34)24-10-12-30-26(20-24)18-22-6-2-4-8-28(22)30/h1-16,19-20H,17-18H2
InChIKey
BYGHZDSINXXOSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
34
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
154.99
TPSA
56.5000

LogP / Solubility

WLOGP
9.95
MLOGP
8.79
XLogP3
9.6
Consensus LogP
9.45
Log S (ESOL)
-9.68
Class (ESOL)
Insoluble
Log S (Ali)
-10.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.5
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)
1.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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