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CAS 1075-59-8 4,6-dimethoxy-1H-1,3,5-triazin-2-one molecular structure lightbox
CAS RN: 1075-59-8

4,6-dimethoxy-1H-1,3,5-triazin-2-one

  • Product code: SSC-009050
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 25g, 100g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1075-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Shanghai Inquiry
10g >95% 4 In Stock Shanghai Inquiry

1075-59-8 / 4,6-dimethoxy-1H-1,3,5-triazin-2-one

4,6-Dimethoxy-1,3,5-triazin-2(1H)-one | DTXSID90274536 | RefChem:285868

Standard CAS: 1075-59-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1075-59-8
Multi CAS
Yes
Molecular Formula
C5H7N3O3
Molecular Weight
157.130000
Exact Mass
157.048741
SMILES
COC1=NC(=NC(=O)N1)OC
InChI
InChI=1S/C5H7N3O3/c1-10-4-6-3(9)7-5(8-4)11-2/h1-2H3,(H,6,7,8,9)
InChIKey
ABWQLBWYPYHBHW-UHFFFAOYSA-N
Synonyms
4,6-Dimethoxy-1,3,5-triazin-2(1H)-one DTXSID90274536 RefChem:285868 DTXCID80226009 810-583-0

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
35.76
TPSA
77.1

LogP / Solubility

WLOGP
-0.82
MLOGP
-0.72
XLogP3
0.1
Consensus LogP
-0.48
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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