CAS RN: 2304444-52-6
Y6-1
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.20250716 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-111878
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 | Beijing | Inquiry |
2304444-52-6 / 3,27-bis(2-ethylhexyl)-8,22-di(undecyl)-6,10,15,20,24-pentathia-3,14,16,27-tetrazaoctacyclo[16.9.0.02,12.04,11.05,9.013,17.019,26.021,25]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaene
Basic Information
CAS
2304444-52-6
Multi CAS
No
Molecular Formula
C56H82N4S5
Molecular Weight
971.600000
Exact Mass
970.514305
SMILES
CCCCCCCCCCCC1=CSC2=C1SC3=C2N(C4=C3C5=NSN=C5C6=C4N(C7=C6SC8=C7SC=C8CCCCCCCCCCC)CC(CC)CCCC)CC(CC)CCCC
InChI
InChI=1S/C56H82N4S5/c1-7-13-17-19-21-23-25-27-29-33-41-37-61-55-49-53(63-51(41)55)43-45-46(58-65-57-45)44-48(47(43)59(49)35-39(11-5)31-15-9-3)60(36-40(12-6)32-16-10-4)50-54(44)64-52-42(38-62-56(50)52)34-30-28-26-24-22-20-18-14-8-2/h37-40H,7-36H2,1-6H3
InChIKey
ATGJDGKDVLMMIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
65
Aromatic heavy atom count
27
Fraction Csp3
0.68
Rotatable bonds
32
H-bond acceptors
9
Molar refractivity
298.41
TPSA
35.64
LogP / Solubility
WLOGP
21.04
MLOGP
18.61
XLogP3
22.8
Consensus LogP
20.82
Log S (ESOL)
-17.31
Class (ESOL)
Insoluble
Log S (Ali)
-22.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-27.28
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)
6.29
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
7.5
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