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CAS 344-21-8 2,4-Dichloro-6-fluorophenol molecular structure lightbox
CAS RN: 344-21-8

2,4-Dichloro-6-fluorophenol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS344-21-8
  • Purity/Analytical Methods: >99.0%
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344-21-8 / 2,4-dichloro-6-fluorophenol

Standard CAS: 344-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
344-21-8
Multi CAS
No
Molecular Formula
C6H3CL2FO
Molecular Weight
180.990000
Exact Mass
179.954498
InChI
InChI=1S/C6H3Cl2FO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
NQLVRAWNANTXSI-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
Leadlikeness
No
Synthetic Accessibility
1.5

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