CAS RN: 844885-05-8
4-CHLORO-3′-FLUORO-4′-METHOXYBENZOPHENONE
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.20260109 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS844885-05-8
- Purity/Analytical Methods: >99.0%
844885-05-8 / (4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
Basic Information
CAS
844885-05-8
Multi CAS
No
Molecular Formula
C14H10CLFO2
Molecular Weight
264.680000
Exact Mass
264.035335
InChI
InChI=1S/C14H10ClFO2/c1-18-13-7-4-10(8-12(13)16)14(17)9-2-5-11(15)6-3-9/h2-8H,1H3
InChIKey
NKZCFJJKOCNILS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
67.84
TPSA
26.3
LogP / Solubility
WLOGP
3.72
MLOGP
3.28
XLogP3
4
Consensus LogP
3.67
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.69
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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