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CAS 123312-89-0 Pymetrozin, Analytical reference molecular structure lightbox
CAS RN: 123312-89-0

Pymetrozin, Analytical reference

Product Availability

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3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 1.2ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250719 1.2ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260323 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-026957
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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 123312-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

123312-89-0 / 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

Standard CAS: 123312-89-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
123312-89-0
Multi CAS
No
Molecular Formula
C10H11N5O
Molecular Weight
217.230000
Exact Mass
217.096360
SMILES
CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2
InChI
InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+
InChIKey
QHMTXANCGGJZRX-WUXMJOGZSA-N

Physical Properties

Melting Point
217 °C
Density
1.36 @ 20 °C
Appearance
Colorless crystals
State
Solid
Storage Conditions
Store in original container, in a cool, dry place inaccessible to children and pets. Product is hygroscopic. Keep the container tightly closed. /Endeavor/

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.18
TPSA
69.95

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
Consensus LogP
0.51
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard Irritant
Signal
Warning
GHS Hazard Statements
H351: Suspected of causing cancer [Warning Carcinogenicity] H361fd: Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H332 (19.5%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501 P203, P261, P271, P273, P280, P304+P340, P317, P318, P391, P405, and P501

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