CAS RN: 1883441-92-6
IDIC
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250703 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250319 | 1g | In stock | Shenzhen, Tianjin | Inquiry |
| Batchno.20251117 | 250mg | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250911 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251117 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1883441-92-6
- Purity/Analytical Methods: >99.0%
1883441-92-6 / 2-[(2Z)-2-[[15-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-9,9,18,18-tetrahexyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
Basic Information
CAS
1883441-92-6
Multi CAS
No
Molecular Formula
C66H66N4O2S2
Molecular Weight
1011.400000
Exact Mass
1010.462720
SMILES
CCCCCCC1(C2=CC3=C(C=C2C4=C1C=C(S4)/C=C\5/C(=C(C#N)C#N)C6=CC=CC=C6C5=O)C(C7=C3SC(=C7)/C=C\8/C(=C(C#N)C#N)C9=CC=CC=C9C8=O)(CCCCCC)CCCCCC)CCCCCC
InChI
InChI=1S/C66H66N4O2S2/c1-5-9-13-21-29-65(30-22-14-10-6-2)55-37-52-56(38-51(55)63-57(65)35-45(73-63)33-53-59(43(39-67)40-68)47-25-17-19-27-49(47)61(53)71)66(31-23-15-11-7-3,32-24-16-12-8-4)58-36-46(74-64(52)58)34-54-60(44(41-69)42-70)48-26-18-20-28-50(48)62(54)72/h17-20,25-28,33-38H,5-16,21-24,29-32H2,1-4H3/b53-33-,54-34-
InChIKey
HSIQYKBCOIIFNJ-UVJLJKBISA-N
Computed Properties
Structural Parameters
Heavy atom count
74
Aromatic heavy atom count
28
Fraction Csp3
0.39
Rotatable bonds
22
H-bond acceptors
8
Molar refractivity
303.46
TPSA
129.3
LogP / Solubility
WLOGP
18.39
MLOGP
16.28
XLogP3
19.8
Consensus LogP
18.16
Log S (ESOL)
-16.52
Class (ESOL)
Insoluble
Log S (Ali)
-21.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.13
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)
4.16
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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