CAS RN: 40278-59-9
6,6′-Dihydroxy-4,4,4′,4′,7,7′-hexamethyl-2,2′-spirobichroman
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-148376
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 |
40278-59-9 / 4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol
Basic Information
CAS
40278-59-9
Multi CAS
No
Molecular Formula
C23H28O4
Molecular Weight
368.500000
Exact Mass
368.198759
InChI
InChI=1S/C23H28O4/c1-13-7-19-15(9-17(13)24)21(3,4)11-23(26-19)12-22(5,6)16-10-18(25)14(2)8-20(16)27-23/h7-10,24-25H,11-12H2,1-6H3
InChIKey
HPPJCHQXOCLCJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.48
H-bond acceptors
4
H-bond donors
2
Molar refractivity
104.96
TPSA
58.92
LogP / Solubility
WLOGP
5.23
MLOGP
4.62
XLogP3
6.1
Consensus LogP
5.32
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
