CAS RN: 2863-04-9
thymidine 3′,5′-diphosphate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250220 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2863-04-9
- Purity/Analytical Methods: >99.0%
2863-04-9 / [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Basic Information
CAS
2863-04-9
Multi CAS
Yes
Molecular Formula
C10H16N2O11P2
Molecular Weight
402.190000
Exact Mass
402.022933
InChI
InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKey
CSNCBOPUCJOHLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
79.5
TPSA
197.61
LogP / Solubility
WLOGP
-1.28
MLOGP
-1.1
XLogP3
-3.5
Consensus LogP
-1.96
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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