CAS RN: 2416095-99-1
INDEX NAME NOT YET ASSIGNED
Product Availability
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5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250507 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260428 | 1g | Out of stock | Inquiry | ||
| Batchno.20260513 | 250mg | In stock | Shenzhen | Inquiry | |
| Batchno.20250317 | 50mg | Out of stock | Inquiry | ||
| Batchno.20260530 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2416095-99-1
- Purity/Analytical Methods: >99.0%
2416095-99-1 / [7,7-bis(4-hexylphenyl)-10-trimethylstannyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylstannane
Basic Information
CAS
2416095-99-1
Multi CAS
No
Molecular Formula
C39H54S2Sn2
Molecular Weight
824.400000
Exact Mass
824.170500
SMILES
CCCCCCC1=CC=C(C=C1)C2(C3=C(C4=C2C=C(S4)[Sn](C)(C)C)SC(=C3)[Sn](C)(C)C)C5=CC=C(C=C5)CCCCCC
InChI
InChI=1S/C33H36S2.6CH3.2Sn/c1-3-5-7-9-11-25-13-17-27(18-14-25)33(28-19-15-26(16-20-28)12-10-8-6-4-2)29-21-23-34-31(29)32-30(33)22-24-35-32;;;;;;;;/h13-22H,3-12H2,1-2H3;6*1H3;;
InChIKey
KCUCZTPAXJDTIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
22
Fraction Csp3
0.49
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
201.15
TPSA
56.5000
LogP / Solubility
WLOGP
11.51
MLOGP
10.2
XLogP3
11.51
Consensus LogP
11.07
Log S (ESOL)
-11.66
Class (ESOL)
Insoluble
Log S (Ali)
-14.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.42
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
5
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