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CAS 663199-28-8 1-Butyl-3-methylimidazolium Dibutyl Phosphate molecular structure lightbox
CAS RN: 663199-28-8

1-Butyl-3-methylimidazolium Dibutyl Phosphate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251219 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing 5-7 business days Inquiry
  • Product code: SSC-175972
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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: ≥96%
  • 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 663199-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥96% 0 Out of Stock Hong Kong Inquiry

663199-28-8 / 1-butyl-3-methylimidazol-3-ium;dibutyl phosphate

Standard CAS: 663199-28-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
663199-28-8
Multi CAS
Yes
Molecular Formula
C16H33N2O4P
Molecular Weight
348.420000
Exact Mass
348.217795
InChI
InChI=1S/C8H15N2.C8H19O4P/c1-3-4-5-10-7-6-9(2)8-10;1-3-5-7-11-13(9,10)12-8-6-4-2/h6-8H,3-5H2,1-2H3;3-8H2,1-2H3,(H,9,10)/q+1;/p-1
InChIKey
NTXQJRGQUZXUMU-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.81
Rotatable bonds
11
H-bond acceptors
5
Molar refractivity
89.84
TPSA
67.4

LogP / Solubility

WLOGP
3.2
MLOGP
2.83
XLogP3
3.2
Consensus LogP
3.08
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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