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CAS 152-93-2 2,6-diamino-5-(beta-D-glucopyranosyloxy)-(1H)-pyrimidin-4-one molecular structure lightbox
CAS RN: 152-93-2

2,6-diamino-5-(beta-D-glucopyranosyloxy)-(1H)-pyrimidin-4-one

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 10mg In stock Shanghai Inquiry
Batchno.20260620 25mg Out of stock Inquiry
Batchno.20260419 50mg Out of stock Inquiry
Batchno.20251121 5mg Out of stock Inquiry
  • Product code: starshine_CAS152-93-2
  • Purity/Analytical Methods: >99.0%
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152-93-2 / 2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-6-one

Standard CAS: 152-93-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
152-93-2
Multi CAS
No
Molecular Formula
C10H16N4O7
Molecular Weight
304.260000
Exact Mass
304.101899
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(N=C(NC2=O)N)N)O)O)O)O
InChI
InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1
InChIKey
KGNGTSCIQCLKEH-SYCVNHKBSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
7
Molar refractivity
68.08
TPSA
197.17

LogP / Solubility

WLOGP
-3.89
MLOGP
-3.41
XLogP3
-3.7
Consensus LogP
-3.67
Log S (ESOL)
0.71
Class (ESOL)
Highly soluble
Log S (Ali)
0.75
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.23
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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