CAS RN: 105330-94-7
Azacitidine Impurity 34
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260317 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS105330-94-7
- Purity/Analytical Methods: >99.0%
105330-94-7 / 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3,5-triazin-2-one
6-methyl-5-azacytidine | 4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-methyl-1,3,5-triazin-2(1H)-one | Azacitidine Impurity H
Basic Information
CAS
105330-94-7
Multi CAS
Yes
Molecular Formula
C9H14N4O5
Molecular Weight
258.230000
Exact Mass
258.096420
SMILES
CC1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
InChI
InChI=1S/C9H14N4O5/c1-3-11-8(10)12-9(17)13(3)7-6(16)5(15)4(2-14)18-7/h4-7,14-16H,2H2,1H3,(H2,10,12,17)/t4-,5-,6-,7-/m1/s1
InChIKey
PHHKGVIFQLKTNV-DBRKOABJSA-N
Synonyms
6-methyl-5-azacytidine
4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-methyl-1,3,5-triazin-2(1H)-one
Azacitidine Impurity H
Azacitidine Impurity 5
TB9Q399JRY
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
4
Molar refractivity
58.45
TPSA
143.72
LogP / Solubility
WLOGP
-2.86
MLOGP
-2.51
XLogP3
-2.2
Consensus LogP
-2.52
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.79
Class (SILICOS-IT)
Highly 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)
-6.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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