CAS RN: 1224430-28-7
4,4′-Dibutoxy-2,2′-bis(trimethylstannyl)-5,5′-bithiazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-025354
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1224430-28-7 / 1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
Basic Information
CAS
1224430-28-7
Multi CAS
No
Molecular Formula
C62H102Br2N2O2S2
Molecular Weight
1131.400000
Exact Mass
1130.572900
SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCCCCCC)CCCCCCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br
InChI
InChI=1S/C62H102Br2N2O2S2/c1-5-9-13-17-21-25-27-31-35-39-43-51(41-37-33-29-23-19-15-11-7-3)49-65-59(53-45-47-55(63)69-53)57-58(61(65)67)60(54-46-48-56(64)70-54)66(62(57)68)50-52(42-38-34-30-24-20-16-12-8-4)44-40-36-32-28-26-22-18-14-10-6-2/h45-48,51-52H,5-44,49-50H2,1-4H3
InChIKey
FYIOMGMQCNUOFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
70
Aromatic heavy atom count
10
Fraction Csp3
0.77
Rotatable bonds
46
H-bond acceptors
4
Molar refractivity
315.66
TPSA
40.62
LogP / Solubility
WLOGP
22.06
MLOGP
19.52
XLogP3
27.3
Consensus LogP
22.96
Log S (ESOL)
-17.82
Class (ESOL)
Insoluble
Log S (Ali)
-24.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-30.84
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
6.04
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
5.5
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