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CAS 936327-10-5 Aminoallyl-dUTP sodium salt molecular structure lightbox
CAS RN: 936327-10-5

Aminoallyl-dUTP sodium salt

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS936327-10-5
  • Purity/Analytical Methods: >99.0%
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936327-10-5 / sodium [[(2R,3S,5R)-5-[5-[(Z)-3-aminoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Standard CAS: 936327-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
936327-10-5
Multi CAS
Yes
Molecular Formula
C12H20N3NAO14P3
Molecular Weight
546.210000
Exact Mass
546.005583
InChI
InChI=1S/C12H22N3O14P3.3Na/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(27-10)6-26-31(22,23)29-32(24,25)28-30(19,20)21;;;/h1-2,7-10,16H,3-6,13H2,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21);;;/q;3*+1/p-3
InChIKey
AAJNICVUBCOHMY-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
12
H-bond donors
7
Molar refractivity
103.76
TPSA
270.16

LogP / Solubility

WLOGP
-4.5
MLOGP
-3.91
XLogP3
-4.5
Consensus LogP
-4.3
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-9.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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