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CAS 654058-04-5 1,3-Dimethylimidazolium Dimethyl Phosphate molecular structure lightbox
CAS RN: 654058-04-5

1,3-Dimethylimidazolium Dimethyl Phosphate

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250313 100g In stock Inquiry
Batchno.20250623 25g In stock Inquiry
Batchno.20251031 500g In stock Inquiry
Batchno.20250514 50g In stock Inquiry
Batchno.20260314 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251227 100g In stock Shanghai Inquiry
Batchno.20260205 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250531 25g In stock Shanghai Inquiry
  • Product code: ICTD3240
  • Purity/Analytical Methods: >97.0%(N)
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654058-04-5 / 1,3-dimethylimidazol-1-ium;dimethyl phosphate

Standard CAS: 654058-04-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
654058-04-5
Multi CAS
Yes
Molecular Formula
C7H15N2O4P
Molecular Weight
222.180000
Exact Mass
222.076944
InChI
InChI=1S/C5H9N2.C2H7O4P/c1-6-3-4-7(2)5-6;1-5-7(3,4)6-2/h3-5H,1-2H3;1-2H3,(H,3,4)/q+1;/p-1
InChIKey
GSGLHYXFTXGIAQ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.21
TPSA
67.4

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.35
XLogP3
-0.4
Consensus LogP
-0.38
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
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)
-4.36

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

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