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CAS 129558-76-5 Tolfenpyrad molecular structure lightbox
CAS RN: 129558-76-5

Tolfenpyrad

Product Availability

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 1.2ml Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 25mg In stock Inquiry
Batchno.20251006 5mg Out of stock Inquiry
  • Product code: SSC-036517
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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 129558-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

129558-76-5 / 4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide

Standard CAS: 129558-76-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129558-76-5
Multi CAS
No
Molecular Formula
C21H22ClN3O2
Molecular Weight
383.900000
Exact Mass
383.140055
SMILES
CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C
InChI
InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKey
WPALTCMYPARVNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
106.46
TPSA
56.15

LogP / Solubility

WLOGP
4.67
MLOGP
4.13
XLogP3
4.7
Consensus LogP
4.5
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard Acute Toxic
Signal
Danger
GHS Hazard Statements
H302+H332 (78.8%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (81.2%): Harmful if inhaled [Warning Acute toxicity, inhalation] H372 (35.3%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H373 (54.1%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P319, P330, P391, and P501 P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P308+P316, P317, P318, P319, P321, P330, P337+P317, P391, P403+P233, P405, and P501 P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P304+P340, P305+P351+P338, P308+P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P405, and P501

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