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CAS 14143-55-6 PICLORAM METHYL ESTER molecular structure lightbox
CAS RN: 14143-55-6

PICLORAM METHYL ESTER

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260328 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS14143-55-6
  • Purity/Analytical Methods: >99.0%
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14143-55-6 / methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate

Standard CAS: 14143-55-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14143-55-6
Multi CAS
No
Molecular Formula
C7H5Cl3N2O2
Molecular Weight
255.500000
Exact Mass
253.941660
SMILES
COC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl
InChI
InChI=1S/C7H5Cl3N2O2/c1-14-7(13)5-2(8)4(11)3(9)6(10)12-5/h1H3,(H2,11,12)
InChIKey
RJQUHEYNLDNJLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.02
TPSA
65.21

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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