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CAS 125401-75-4 Bispyribac molecular structure lightbox
CAS RN: 125401-75-4

Bispyribac

  • Product code: SSC-030121
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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: 100g
  • 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 125401-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

125401-75-4 / 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid

Standard CAS: 125401-75-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
125401-75-4
Multi CAS
No
Molecular Formula
C19H18N4O8
Molecular Weight
430.400000
Exact Mass
430.112464
SMILES
COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O)OC
InChI
InChI=1S/C19H18N4O8/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)
InChIKey
RYVIXQCRCQLFCM-UHFFFAOYSA-N

Physical Properties

Melting Point
148-150 °C
Appearance
White powder
State
Solid
Storage Conditions
Do not contaminate water, food or feed by storage or disposal. Store in a cool dry place. Keep pesticide in original container. Keep container closed when not in use. Do not put concentrate or dilute into food or drink containers. Not for use or storage in or around the home. /Bispyribac-sodium; Regiment Herbicide/

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
9
H-bond acceptors
11
H-bond donors
1
Molar refractivity
103.82
TPSA
144.24

LogP / Solubility

WLOGP
2.58
MLOGP
2.3
XLogP3
3
Consensus LogP
2.63
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

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

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