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CAS 2624149-07-9 INDEX NAME NOT YET ASSIGNED molecular structure lightbox
CAS RN: 2624149-07-9

INDEX NAME NOT YET ASSIGNED

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250512 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260512 1g In stock Shanghai Inquiry
Batchno.20250616 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250904 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS2624149-07-9
  • Purity/Analytical Methods: >99.0%
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2624149-07-9 / 2-[4-[4-[1,2,2-tris[4-[4-(cyanomethyl)phenyl]phenyl]ethenyl]phenyl]phenyl]acetonitrile

Standard CAS: 2624149-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2624149-07-9
Multi CAS
No
Molecular Formula
C58H40N4
Molecular Weight
793.000000
Exact Mass
792.325297
SMILES
C1=CC(=CC=C1CC#N)C2=CC=C(C=C2)C(=C(C3=CC=C(C=C3)C4=CC=C(C=C4)CC#N)C5=CC=C(C=C5)C6=CC=C(C=C6)CC#N)C7=CC=C(C=C7)C8=CC=C(C=C8)CC#N
InChI
InChI=1S/C58H40N4/c59-37-33-41-1-9-45(10-2-41)49-17-25-53(26-18-49)57(54-27-19-50(20-28-54)46-11-3-42(4-12-46)34-38-60)58(55-29-21-51(22-30-55)47-13-5-43(6-14-47)35-39-61)56-31-23-52(24-32-56)48-15-7-44(8-16-48)36-40-62/h1-32H,33-36H2
InChIKey
PYWSBOQISDUMLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Aromatic heavy atom count
48
Fraction Csp3
0.07
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
249.8
TPSA
95.16

LogP / Solubility

WLOGP
13.63
MLOGP
12.06
XLogP3
13.1
Consensus LogP
12.93
Log S (ESOL)
-13.12
Class (ESOL)
Insoluble
Log S (Ali)
-15.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.12

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
6.5

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