[email protected]
CAS 60168-88-9 Fenarimol molecular structure lightbox
CAS RN: 60168-88-9

Fenarimol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250414 1ml In stock Inquiry
  • Product code: starshine_CAS60168-88-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

60168-88-9 / (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol

Standard CAS: 60168-88-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
60168-88-9
Multi CAS
Yes
Molecular Formula
C17H12CL2N2O
Molecular Weight
331.200000
Exact Mass
330.032668
InChI
InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
InChIKey
NHOWDZOIZKMVAI-UHFFFAOYSA-N

Physical Properties

Melting Point
117 - 119 °C
Physical Description
Pure white crystalline solid. Used as a fungicide. Irritates skin and mucous membranes. Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.04
TPSA
46.01

LogP / Solubility

WLOGP
4.07
MLOGP
3.6
XLogP3
3.6
Consensus LogP
3.76
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us