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CAS 128524-26-5 3′-DEOXYTHYMIDINE-5′-O-TRIPHOSPHATE/2′,3′-DIDEOXYTHYMIDINE-5′-O-TRIPHOSPHATE SODIUM SALT molecular structure lightbox
CAS RN: 128524-26-5

3′-DEOXYTHYMIDINE-5′-O-TRIPHOSPHATE/2′,3′-DIDEOXYTHYMIDINE-5′-O-TRIPHOSPHATE SODIUM SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250412 200mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS128524-26-5
  • Purity/Analytical Methods: >99.0%
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128524-26-5 / sodium [hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate

Standard CAS: 128524-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128524-26-5
Multi CAS
No
Molecular Formula
C10H16N2NaO13P3
Molecular Weight
488.150000
Exact Mass
487.976294
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)[O-].[Na+]
InChI
InChI=1S/C10H17N2O13P3.Na/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17;/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17);/q;+1/p-1/t7-,8+;/m0./s1
InChIKey
QJSZKDPCBDXBCK-KZYPOYLOSA-M

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
4
Molar refractivity
86.8
TPSA
226.74

LogP / Solubility

WLOGP
-3.76
MLOGP
-3.28
XLogP3
-3.76
Consensus LogP
-3.6
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
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)
-8.37

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
5

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