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CAS 81406-37-3 Fluroxypyr 1-Methylheptyl Ester molecular structure lightbox
CAS RN: 81406-37-3

Fluroxypyr 1-Methylheptyl Ester

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 10g Out of stock Inquiry
Batchno.20250307 1g Out of stock Inquiry
Batchno.20250425 5g Out of stock Inquiry
  • Product code: ICTF1213
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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81406-37-3 / octan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate

Standard CAS: 81406-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81406-37-3
Multi CAS
No
Molecular Formula
C15H21CL2FN2O3
Molecular Weight
367.200000
Exact Mass
366.091326
InChI
InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)
InChIKey
OLZQTUCTGLHFTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
88.44
TPSA
74.44

LogP / Solubility

WLOGP
4.39
MLOGP
3.88
XLogP3
5.4
Consensus LogP
4.56
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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