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CAS 562817-22-5 4-(4-CHLOROPHENOXY)-3,5-DIMETHYL-1H-PYRAZOLE molecular structure lightbox
CAS RN: 562817-22-5

4-(4-CHLOROPHENOXY)-3,5-DIMETHYL-1H-PYRAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS562817-22-5
  • Purity/Analytical Methods: >99.0%
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562817-22-5 / 4-(4-chlorophenoxy)-3,5-dimethyl-1H-pyrazole

Standard CAS: 562817-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
562817-22-5
Multi CAS
No
Molecular Formula
C11H11CLN2O
Molecular Weight
222.670000
Exact Mass
222.055991
InChI
InChI=1S/C11H11ClN2O/c1-7-11(8(2)14-13-7)15-10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14)
InChIKey
QXLYWPSHWUVDSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.59
TPSA
37.91

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
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)
-1.61

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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