CAS RN: 80254-68-8
3-FLUORO-3′-METHOXYBIPHENYL
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.20251128 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS80254-68-8
- Purity/Analytical Methods: >99.0%
80254-68-8 / 1-fluoro-3-(3-methoxyphenyl)benzene
Basic Information
CAS
80254-68-8
Multi CAS
Yes
Molecular Formula
C13FH11O
Molecular Weight
202.220000
Exact Mass
202.079393
InChI
InChI=1S/C13H11FO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9H,1H3
InChIKey
YRAKETYYOXEFJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
58.39
TPSA
9.23
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
3.6
Consensus LogP
3.39
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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