CAS RN: 114262-49-6
1-((2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxyMethyl)-3-Methyltetrahydrofuran-2-yl)pyriMidine-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.20250829 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS114262-49-6
- Purity/Analytical Methods: >99.0%
114262-49-6 / 1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
1-((2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione | 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione | SCHEMBL1832281
Basic Information
CAS
114262-49-6
Multi CAS
Yes
Molecular Formula
C10H14N2O6
Molecular Weight
258.230000
Exact Mass
258.085186
SMILES
C[C@@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O)O
InChI
InChI=1S/C10H14N2O6/c1-10(17)7(15)5(4-13)18-8(10)12-3-2-6(14)11-9(12)16/h2-3,5,7-8,13,15,17H,4H2,1H3,(H,11,14,16)/t5-,7-,8-,10+/m1/s1
InChIKey
NBKORJKMMVZAOZ-UZRKRJFESA-N
Synonyms
1-((2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SCHEMBL1832281
AKOS032947934
AS-79835
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
4
Molar refractivity
58.95
TPSA
124.78
LogP / Solubility
WLOGP
-2.46
MLOGP
-2.16
XLogP3
-2.1
Consensus LogP
-2.24
Class (ESOL)
Very soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
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)
-6.04
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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