CAS RN: 131023-37-5
4-CHLOROACETYL-2,7-DICHLOROFLUORENE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260603 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250803 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251008 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20260111 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS131023-37-5
- Purity/Analytical Methods: >99.0%
131023-37-5 / 2-chloro-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone
Basic Information
CAS
131023-37-5
Multi CAS
No
Molecular Formula
C15H9Cl3O
Molecular Weight
311.600000
Exact Mass
309.971898
SMILES
C1C2=C(C=CC(=C2)Cl)C3=C1C=C(C=C3C(=O)CCl)Cl
InChI
InChI=1S/C15H9Cl3O/c16-7-14(19)13-6-11(18)5-9-3-8-4-10(17)1-2-12(8)15(9)13/h1-2,4-6H,3,7H2
InChIKey
FUSJWQRNFMDEGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
79.75
TPSA
17.07
LogP / Solubility
WLOGP
4.99
MLOGP
4.4
XLogP3
5.1
Consensus LogP
4.83
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
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
No
Log Kp (skin permeation)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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