CAS RN: 76350-28-2
Desmethoxyiopromid
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250530 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS76350-28-2
- Purity/Analytical Methods: >99.0%
76350-28-2 / 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide
Basic Information
CAS
76350-28-2
Multi CAS
No
Molecular Formula
C17H22I3N3O7
Molecular Weight
761.100000
Exact Mass
760.859200
InChI
InChI=1S/C17H22I3N3O7/c1-7(26)22-15-13(19)10(16(29)21-3-8(27)5-24)12(18)11(14(15)20)17(30)23(2)4-9(28)6-25/h8-9,24-25,27-28H,3-6H2,1-2H3,(H,21,29)(H,22,26)
InChIKey
USZSPRUWTHXRRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
6
Molar refractivity
134.38
TPSA
159.43
LogP / Solubility
WLOGP
-0.03
MLOGP
0.04
XLogP3
-2.1
Consensus LogP
-0.7
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
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)
-7.39
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
3.5
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