CAS RN: 206055-69-8
2′-O,4′-C-Methylenecytidine
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.20250531 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS206055-69-8
- Purity/Analytical Methods: >99.0%
206055-69-8 / 4-amino-1-[(1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one
Basic Information
CAS
206055-69-8
Multi CAS
No
Molecular Formula
C10H13N3O5
Molecular Weight
255.230000
Exact Mass
255.085521
SMILES
C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)CO
InChI
InChI=1S/C10H13N3O5/c11-5-1-2-13(9(16)12-5)8-6-7(15)10(3-14,18-8)4-17-6/h1-2,6-8,14-15H,3-4H2,(H2,11,12,16)/t6-,7+,8-,10+/m1/s1
InChIKey
FCMRQQIZHFHCNG-JIOCBJNQSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
3
Molar refractivity
58.6
TPSA
119.83
LogP / Solubility
WLOGP
-2.15
MLOGP
-1.89
XLogP3
-2.5
Consensus LogP
-2.18
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.23
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)
-5.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5.5
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