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CAS 66230-04-4 Es-fenvalerate, 100μg/mL, U(%)=2 in hexane molecular structure lightbox
CAS RN: 66230-04-4

Es-fenvalerate, 100μg/mL, U(%)=2 in hexane

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250926 1ml In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 1g In stock Inquiry
Batchno.20250514 250mg In stock Inquiry
Batchno.20250228 50mg In stock Inquiry
  • Product code: SSC-175873
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 66230-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

66230-04-4 / [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate

Standard CAS: 66230-04-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
66230-04-4
Multi CAS
Yes
Molecular Formula
C25H22CLNO3
Molecular Weight
419.900000
Exact Mass
419.128821
InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1
InChIKey
NYPJDWWKZLNGGM-RPWUZVMVSA-N

Physical Properties

Melting Point
59-60.2 °C 59-60 °C
Boiling Point
151-167 °C
Density
1.26 (4-26 °C) 1.2 g/cm³
Physical Description
COLOURLESS-TO-WHITE CRYSTALS.
Appearance
White crystalline solid Colorless crystals Clear viscous liquid at 23 °C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
116.44
TPSA
59.32

LogP / Solubility

WLOGP
6.68
MLOGP
5.9
XLogP3
6.2
Consensus LogP
6.26
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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