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CAS 123707-26-6 1,3-Dimethoxy-1,3-dimethylurea molecular structure lightbox
CAS RN: 123707-26-6

1,3-Dimethoxy-1,3-dimethylurea

  • Product code: SSC-027435
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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: 5g
  • Available purity: ≥97%
  • 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 123707-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

123707-26-6 / 1,3-dimethoxy-1,3-dimethylurea

Standard CAS: 123707-26-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123707-26-6
Multi CAS
No
Molecular Formula
C5H12N2O3
Molecular Weight
148.160000
Exact Mass
148.084792
SMILES
CN(C(=O)N(C)OC)OC
InChI
InChI=1S/C5H12N2O3/c1-6(9-3)5(8)7(2)10-4/h1-4H3
InChIKey
BXBKNWRSAAAPKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
34.94
TPSA
42.01

LogP / Solubility

WLOGP
0.09
MLOGP
0.08
XLogP3
-0.2
Consensus LogP
-0.01
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very 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)
-3.56

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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