CAS RN: 1124347-33-6
Dextrorotation nimorazole phosphate ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251022 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1124347-33-6
- Purity/Analytical Methods: >99.0%
1124347-33-6 / [(2R)-1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-yl] dihydrogen phosphate
PD101120
Basic Information
CAS
1124347-33-6
Multi CAS
Yes
Molecular Formula
C11H19N4O7P
Molecular Weight
350.270000
Exact Mass
350.099136
SMILES
CC1=NC=C(N1C[C@@H](CN2CCOCC2)OP(=O)(O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H19N4O7P/c1-9-12-6-11(15(16)17)14(9)8-10(22-23(18,19)20)7-13-2-4-21-5-3-13/h6,10H,2-5,7-8H2,1H3,(H2,18,19,20)/t10-/m1/s1
InChIKey
CCDHHPOGWLYHAX-SNVBAGLBSA-N
Synonyms
PD101120
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
77.79
TPSA
140.19
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.06
XLogP3
-3.7
Consensus LogP
-1.28
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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