CAS RN: 92339-11-2
Iodixanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260630 | 5mg / 25mg / 100mg / 1g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS92339-11-2
- Purity/Analytical Methods: >99.0%
92339-11-2 / 5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Basic Information
CAS
92339-11-2
Multi CAS
Yes
Molecular Formula
C35H44I6N6O15
Molecular Weight
1550.200000
Exact Mass
1549.713300
InChI
InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)
InChIKey
NBQNWMBBSKPBAY-UHFFFAOYSA-N
Physical Properties
Melting Point
240-250 °C
Density
1.266
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
12
Fraction Csp3
0.49
Rotatable bonds
22
H-bond acceptors
15
H-bond donors
13
Molar refractivity
272.95
TPSA
339.09
LogP / Solubility
WLOGP
-1.59
MLOGP
-1.23
XLogP3
-3.4
Consensus LogP
-2.07
Log S (ESOL)
-7.14
Class (ESOL)
Insoluble
Log S (Ali)
-11.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-13.3
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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- Purity/Analytical method: >99.0%
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