CAS RN: 98781-25-0
3-chloro-1,1′:3′,1”-terphenyl
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.20250601 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS98781-25-0
- Purity/Analytical Methods: >99.0%
98781-25-0 / 1-chloro-3-(3-phenylphenyl)benzene
Basic Information
CAS
98781-25-0
Multi CAS
No
Molecular Formula
C18H13CL
Molecular Weight
264.700000
Exact Mass
264.070578
InChI
InChI=1S/C18H13Cl/c19-18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13H
InChIKey
FLGLFUIDRYWVDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
Molar refractivity
82.32
TPSA
0.0000
LogP / Solubility
WLOGP
5.67
MLOGP
5
XLogP3
6.2
Consensus LogP
5.62
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
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
No
Log Kp (skin permeation)
-0.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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