CAS RN: 2803460-86-6
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250507 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2803460-86-6
- Purity/Analytical Methods: >99.0%
2803460-86-6 / 2-[4-[3-[3,5-bis[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]-5-[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile
Basic Information
CAS
2803460-86-6
Multi CAS
No
Molecular Formula
C72H48N6
Molecular Weight
997.200000
Exact Mass
996.394046
InChI
InChI=1S/C72H48N6/c73-31-25-49-1-13-55(14-2-49)61-37-62(56-15-3-50(4-16-56)26-32-74)41-67(40-61)70-46-71(68-42-63(57-17-5-51(6-18-57)27-33-75)38-64(43-68)58-19-7-52(8-20-58)28-34-76)48-72(47-70)69-44-65(59-21-9-53(10-22-59)29-35-77)39-66(45-69)60-23-11-54(12-24-60)30-36-78/h1-24,37-48H,25-30H2
InChIKey
PSLJCPCUMLOVKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
78
Aromatic heavy atom count
60
Fraction Csp3
0.08
Rotatable bonds
15
H-bond acceptors
6
Molar refractivity
311.27
TPSA
142.74
LogP / Solubility
WLOGP
17.09
MLOGP
15.13
XLogP3
14.5
Consensus LogP
15.57
Log S (ESOL)
-16.37
Class (ESOL)
Insoluble
Log S (Ali)
-20.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.12
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)
3.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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