CAS RN: 85652-50-2
Violanthrone 79
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260125 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251020 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250525 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251013 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20251013 | 25g | Out of stock | Inquiry | |
| Batchno.20251004 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-194144
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
85652-50-2 / 30,34-dioctoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione
Basic Information
CAS
85652-50-2
Multi CAS
Yes
Molecular Formula
C50H48O4
Molecular Weight
712.900000
Exact Mass
712.355260
InChI
InChI=1S/C50H48O4/c1-3-5-7-9-11-17-27-53-41-29-39-31-19-13-15-21-35(31)49(51)37-25-23-33-34-24-26-38-44-40(32-20-14-16-22-36(32)50(38)52)30-42(54-28-18-12-10-8-6-4-2)48(46(34)44)47(41)45(33)43(37)39/h13-16,19-26,29-30H,3-12,17-18,27-28H2,1-2H3
InChIKey
LLPQZABTDLOYAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
32
Fraction Csp3
0.32
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
223.13
TPSA
52.6
LogP / Solubility
WLOGP
13.64
MLOGP
12.06
XLogP3
14.8
Consensus LogP
13.5
Log S (ESOL)
-12.24
Class (ESOL)
Insoluble
Log S (Ali)
-15.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.53
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)
2.61
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
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