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CAS 194034-69-0 1-((2R,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 194034-69-0

1-((2R,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS194034-69-0
  • Purity/Analytical Methods: >99.0%
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194034-69-0 / 1-[(2R,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 194034-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194034-69-0
Multi CAS
No
Molecular Formula
C10H15N3O5
Molecular Weight
257.240000
Exact Mass
257.101171
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CN)O
InChI
InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-11)18-9(8)13-3-2-6(14)12-10(13)16/h2-3,5,7-9,15H,4,11H2,1H3,(H,12,14,16)/t5-,7-,8-,9-/m1/s1
InChIKey
AKIJBHYLTMJYGW-ZOQUXTDFSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
61.09
TPSA
119.57

LogP / Solubility

WLOGP
-2.23
MLOGP
-1.96
XLogP3
-1.7
Consensus LogP
-1.96
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.16
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)
-5.87

Drug-likeness / Medicinal Chemistry

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

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