![CAS 928623-33-0 5-[acetyl-(1,1,2,3,3-pentadeuterio-2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/928623-33-0.gif)
CAS RN: 928623-33-0
5-[acetyl-(1,1,2,3,3-pentadeuterio-2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250109 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS928623-33-0
- Purity/Analytical Methods: >99.0%
928623-33-0 / 5-[acetyl-(1,1,2,3,3-pentadeuterio-2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Basic Information
CAS
928623-33-0
Multi CAS
Yes
Molecular Formula
C19H26I3N3O9
Molecular Weight
826.200000
Exact Mass
825.911700
InChI
InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)/i4D2,7D2,11D
InChIKey
NTHXOOBQLCIOLC-OPCJXEHASA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
12
H-bond acceptors
9
H-bond donors
8
Molar refractivity
146.56
TPSA
199.89
LogP / Solubility
WLOGP
-1.63
MLOGP
-1.36
XLogP3
-3
Consensus LogP
-2
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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)
-8.88
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
4
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