CAS RN: 2149-76-0

5-AMINOURIDINE, HYDROCHLORIDE SALT

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Batchno.20251106 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2149-76-0
  • Purity/Analytical Methods: >99.0%
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2149-76-0 / 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 2149-76-0 Multi CAS: No

Basic Information

CAS
2149-76-0
Multi CAS
No
Molecular Formula
C9H13N3O6
Molecular Weight
259.220000
Exact Mass
259.080435
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
InChI
InChI=1S/C9H13N3O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2,10H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
InChIKey
YBTWWWIJBCCYNR-UAKXSSHOSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
5
Molar refractivity
58.74
TPSA
150.8

LogP / Solubility

WLOGP
-3.27
MLOGP
-2.87
XLogP3
-2.5
Consensus LogP
-2.88
Log S (ESOL)
0.5
Class (ESOL)
Highly soluble
Log S (Ali)
0.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.13
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)
-6.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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