CAS RN: 1476-82-0
1-β-D-Ribofuranosyl-1,3,5-triazine-2,4(1H,3H)-dione
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250225 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1476-82-0
- Purity/Analytical Methods: >99.0%
1476-82-0 / 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazine-2,4-dione
Basic Information
CAS
1476-82-0
Multi CAS
No
Molecular Formula
C8H11N3O6
Molecular Weight
245.190000
Exact Mass
245.064785
SMILES
C1=NC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C8H11N3O6/c12-1-3-4(13)5(14)6(17-3)11-2-9-7(15)10-8(11)16/h2-6,12-14H,1H2,(H,10,15,16)/t3-,4-,5-,6-/m1/s1
InChIKey
KYEKLQMDNZPEFU-KVTDHHQDSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
52.13
TPSA
137.67
LogP / Solubility
WLOGP
-3.46
MLOGP
-3.04
XLogP3
-1.8
Consensus LogP
-2.77
Log S (ESOL)
0.69
Class (ESOL)
Highly soluble
Log S (Ali)
0.93
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.38
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)
-6.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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