CAS RN: 84-52-6
CYTIDINE 3′-MONOPHOSPHATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260302 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS84-52-6
- Purity/Analytical Methods: >99.0%
84-52-6 / [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Basic Information
CAS
84-52-6
Multi CAS
Yes
Molecular Formula
C9H14N3O8P
Molecular Weight
323.200000
Exact Mass
323.051851
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
UOOOPKANIPLQPU-XVFCMESISA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
5
Molar refractivity
66.83
TPSA
177.36
LogP / Solubility
WLOGP
-2.45
MLOGP
-2.14
XLogP3
-3.8
Consensus LogP
-2.8
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very 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)
-6.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
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