CAS RN: 89929-65-7
3,3,3′,3′-Tetramethyl-5,5′,6,6′-tetrapropoxy-1,1′-spirobiindane
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.20260331 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-202113
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: 25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
89929-65-7 / 1,1,1',1'-tetramethyl-5,5',6,6'-tetrapropoxy-3,3'-spirobi[2H-indene]
Basic Information
CAS
89929-65-7
Multi CAS
No
Molecular Formula
C33H48O4
Molecular Weight
508.700000
Exact Mass
508.355260
InChI
InChI=1S/C33H48O4/c1-9-13-34-27-17-23-25(19-29(27)36-15-11-3)33(21-31(23,5)6)22-32(7,8)24-18-28(35-14-10-2)30(20-26(24)33)37-16-12-4/h17-20H,9-16,21-22H2,1-8H3
InChIKey
XFCRUFLAYQTRRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.64
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
152.09
TPSA
36.92
LogP / Solubility
WLOGP
8.49
MLOGP
7.51
XLogP3
10
Consensus LogP
8.67
Log S (ESOL)
-7.79
Class (ESOL)
Insoluble
Log S (Ali)
-9.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.45
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)
0.2
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
