CAS RN: 92586-35-1
3′-Azido-3′-deoxythymidine-5′-triphosphate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260518 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS92586-35-1
- Purity/Analytical Methods: >99.0%
92586-35-1 / [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Basic Information
CAS
92586-35-1
Multi CAS
Yes
Molecular Formula
C10H16N5O13P3
Molecular Weight
507.180000
Exact Mass
506.995747
InChI
InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChIKey
GLWHPRRGGYLLRV-XLPZGREQSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
9
H-bond acceptors
11
H-bond donors
5
Molar refractivity
97.34
TPSA
272.67
LogP / Solubility
WLOGP
0.15
MLOGP
0.17
XLogP3
-3.2
Consensus LogP
-0.96
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-5.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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