CAS RN: 2364382-30-7
T8IC
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2364382-30-7
- Purity/Analytical Methods: >99.0%
2364382-30-7 / 2-[(5Z)-5-[[20-[(Z)-[6-(dicyanomethylidene)-4-oxocyclopenta[c]thiophen-5-ylidene]methyl]-3,3,16,16-tetrakis(4-hexylphenyl)-6,10,13,19,23,26-hexathiaoctacyclo[12.12.0.02,12.04,11.05,9.015,25.017,24.018,22]hexacosa-1(14),2(12),4(11),5(9),7,15(25),17(24),18(22),20-nonaen-7-yl]methylidene]-4-oxocyclopenta[c]thiophen-6-ylidene]propanedinitrile
Basic Information
CAS
2364382-30-7
Multi CAS
No
Molecular Formula
C90H76N4O2S8
Molecular Weight
1502.100000
Exact Mass
1500.373397
SMILES
CCCCCCC1=CC=C(C=C1)C2(C3=C(SC4=C3SC5=C4C(C6=C5SC7=C6SC(=C7)/C=C/8\C(=O)C9=CSC=C9C8=C(C#N)C#N)(C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=C2C2=C(S1)C=C(S2)/C=C/1\C(=O)C2=CSC=C2C1=C(C#N)C#N)C1=CC=C(C=C1)CCCCCC
InChI
InChI=1S/C90H76N4O2S8/c1-5-9-13-17-21-53-25-33-59(34-26-53)89(60-35-27-54(28-36-60)22-18-14-10-6-2)75-81-71(43-63(99-81)41-65-73(57(45-91)46-92)67-49-97-51-69(67)79(65)95)101-83(75)85-77(89)87-88(103-85)78-86(104-87)84-76(82-72(102-84)44-64(100-82)42-66-74(58(47-93)48-94)68-50-98-52-70(68)80(66)96)90(78,61-37-29-55(30-38-61)23-19-15-11-7-3)62-39-31-56(32-40-62)24-20-16-12-8-4/h25-44,49-52H,5-24H2,1-4H3/b65-41-,66-42-
InChIKey
DRZCPXAGXNQLHG-SLZAGEDMSA-N
Computed Properties
Structural Parameters
Heavy atom count
104
Aromatic heavy atom count
58
Fraction Csp3
0.29
Rotatable bonds
26
H-bond acceptors
14
Molar refractivity
441.76
TPSA
129.3
LogP / Solubility
WLOGP
27.02
MLOGP
23.93
XLogP3
27.7
Consensus LogP
26.22
Log S (ESOL)
-24.87
Class (ESOL)
Insoluble
Log S (Ali)
-31.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-34.97
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)
7.3
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
10
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