CAS RN: 2498-41-1
2′-deoxy-5-methylcytidine 5′-monophosphate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251203 | 25mg / 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2498-41-1
- Purity/Analytical Methods: >99.0%
2498-41-1 / [5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Basic Information
CAS
2498-41-1
Multi CAS
No
Molecular Formula
C10H16N3O7P
Molecular Weight
321.220000
Exact Mass
321.072587
SMILES
CC1=CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O
InChI
InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)
InChIKey
RGDVNLHBCKWZDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
70.18
TPSA
157.13
LogP / Solubility
WLOGP
-1.11
MLOGP
-0.96
XLogP3
-3
Consensus LogP
-1.69
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-5.47
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
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