CAS RN: 135876-30-1
9,9-Bis(3,4-dicarboxyphenyl)fluorene Dianhydride
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-044462
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
135876-30-1 / 5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione
Basic Information
CAS
135876-30-1
Multi CAS
No
Molecular Formula
C29H14O6
Molecular Weight
458.400000
Exact Mass
458.079038
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC5=C(C=C4)C(=O)OC5=O)C6=CC7=C(C=C6)C(=O)OC7=O
InChI
InChI=1S/C29H14O6/c30-25-19-11-9-15(13-21(19)27(32)34-25)29(16-10-12-20-22(14-16)28(33)35-26(20)31)23-7-3-1-5-17(23)18-6-2-4-8-24(18)29/h1-14H
InChIKey
FMACFWAQBPYRFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.03
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
123.24
TPSA
86.74
LogP / Solubility
WLOGP
4.67
MLOGP
4.14
XLogP3
5.4
Consensus LogP
4.74
Log S (ESOL)
-6
Class (ESOL)
Insoluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
