CAS RN: 142629-81-0
3′-azidothymidine-5′-(phenylmethoxyalanyl)phosphate
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.20260304 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS142629-81-0
- Purity/Analytical Methods: >99.0%
142629-81-0 / methyl (2S)-2-[[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Basic Information
CAS
142629-81-0
Multi CAS
No
Molecular Formula
C20H25N6O8P
Molecular Weight
508.400000
Exact Mass
508.147149
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=CC=C3)N=[N+]=[N-]
InChI
InChI=1S/C20H25N6O8P/c1-12-10-26(20(29)22-18(12)27)17-9-15(23-25-21)16(33-17)11-32-35(30,24-13(2)19(28)31-3)34-14-7-5-4-6-8-14/h4-8,10,13,15-17H,9,11H2,1-3H3,(H,24,30)(H,22,27,29)/t13-,15?,16?,17?,35?/m0/s1
InChIKey
CNUMCGXPKWOQFJ-SGTLBKTKSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
2
Molar refractivity
122.76
TPSA
186.71
LogP / Solubility
WLOGP
2.17
MLOGP
1.94
XLogP3
1.9
Consensus LogP
2
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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