CAS RN: 886497-60-5
2,3-DICHLORO-6-FLUOROPHENOL
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.20260304 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS886497-60-5
- Purity/Analytical Methods: >99.0%
886497-60-5 / 2,3-dichloro-6-fluorophenol
Basic Information
CAS
886497-60-5
Multi CAS
No
Molecular Formula
C6H3CL2FO
Molecular Weight
180.990000
Exact Mass
179.954498
InChI
InChI=1S/C6H3Cl2FO/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H
InChIKey
ODZXPXPRCGLXRT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.08
TPSA
20.23
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
3.2
Consensus LogP
2.85
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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