CAS RN: 866022-28-8
Bischloroanthrabenzoxocinone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260619 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS866022-28-8
- Purity/Analytical Methods: >99.0%
866022-28-8 / 8,10-dichloro-3,7,9-trihydroxy-21-methoxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.02,15.04,13.06,11.019,24]pentacosa-2,4(13),6(11),7,9,14,19(24),20,22-nonaen-5-one
Basic Information
CAS
866022-28-8
Multi CAS
Yes
Molecular Formula
C28H24CL2O7
Molecular Weight
543.400000
Exact Mass
542.089909
InChI
InChI=1S/C23H12Cl2O2/c24-20-9-10-27-23-17-6-5-15-11-13-3-1-2-4-14(13)12-19(15)16(17)7-8-18(23)22(26)21(20)25/h1-12H
InChIKey
QDPSZYNJYJMHNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
3
Molar refractivity
136.85
TPSA
105.45
LogP / Solubility
WLOGP
6.07
MLOGP
5.38
XLogP3
6.8
Consensus LogP
6.08
Log S (ESOL)
-7.33
Class (ESOL)
Insoluble
Log S (Ali)
-8.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
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