CAS RN: 153715-08-3
9,10-Bis(3,5-dihydroxyphenyl)anthracene
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-063104
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: ≥96%
- 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 | ≥96% | 0 Out of Stock | Shenzhen | Inquiry |
153715-08-3 / 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol
Basic Information
CAS
153715-08-3
Multi CAS
No
Molecular Formula
C26H18O4
Molecular Weight
394.400000
Exact Mass
394.120509
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O
InChI
InChI=1S/C26H18O4/c27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16/h1-14,27-30H
InChIKey
BTBBWVMITMIXSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
26
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
118.99
TPSA
80.92
LogP / Solubility
WLOGP
6.15
MLOGP
5.43
XLogP3
6.3
Consensus LogP
5.96
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
