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CAS 125401-92-5 Bispyribac-sodium molecular structure lightbox
CAS RN: 125401-92-5

Bispyribac-sodium

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 100mg Out of stock Inquiry
Batchno.20260618 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 100mg In stock Inquiry
Batchno.20250308 25mg Out of stock Inquiry
  • Product code: SSC-030122
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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 125401-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

125401-92-5 / sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

Standard CAS: 125401-92-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
125401-92-5
Multi CAS
No
Molecular Formula
C19H17N4NaO8
Molecular Weight
452.300000
Exact Mass
452.094408
SMILES
COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]
InChI
InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1
InChIKey
FUHMZYWBSHTEDZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
9
H-bond acceptors
12
Molar refractivity
101.19
TPSA
147.07

LogP / Solubility

WLOGP
-1.75
MLOGP
-1.51
XLogP3
-1.75
Consensus LogP
-1.67
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.72

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (44.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (56.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H373 (13.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (36.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (36.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P319, P321, P333+P317, P337+P317, P362+P364, P391, and P501

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