![CAS 4081-00-9 Spiro[fluorene-9,9′-xanthene]-3′,6′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/s0953-jpgcontextbwfzdgvyfhjvb3r8mzg2ndb8aw1hz2uvanblz3xomtmvadzmlzg5mziynjqxode3otavuza5ntmuanbnfdlkztdiztzhmmqzmjeznzhmnme1ztg4nmflzmm3yzfmmdrkmdk3ogi1ogvjmwriztkzzjaynjk4mzi4yjllnzk.jpeg)
CAS RN: 4081-00-9
Spiro[fluorene-9,9′-xanthene]-3′,6′-diol
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.20260221 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-149151
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 |
4081-00-9 / spiro[fluorene-9,9'-xanthene]-3',6'-diol
Basic Information
CAS
4081-00-9
Multi CAS
No
Molecular Formula
C25H16O3
Molecular Weight
364.400000
Exact Mass
364.109944
InChI
InChI=1S/C25H16O3/c26-15-9-11-21-23(13-15)28-24-14-16(27)10-12-22(24)25(21)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,26-27H
InChIKey
ZTQUBBFVYUHQRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
3
H-bond donors
2
Molar refractivity
107.15
TPSA
49.69
LogP / Solubility
WLOGP
5.57
MLOGP
4.92
XLogP3
5.6
Consensus LogP
5.36
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
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)
-0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 728911-52-2 2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9′-spirobi[9H-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5656-jpgcontextbwfzdgvyfhjvb3r8mzg0nth8aw1hz2uvanblz3xozmuvadlklzg5mjkymte1mtq5mtavqju2ntyuanbnfgyzm2nkymy3zty4ndhjn2mzzgnkoti2n2fiymmzotk4m2jhzgewy2exnwu5owy4mmmxndy1mtringvhytbkmdc.jpeg)
