CAS RN: 1612841-22-1
1-((2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione(WXC04730)
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.20251017 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1612841-22-1
- Purity/Analytical Methods: >99.0%
1612841-22-1 / 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Basic Information
CAS
1612841-22-1
Multi CAS
No
Molecular Formula
C9H10F2N2O5
Molecular Weight
264.180000
Exact Mass
264.055778
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@](O2)(CO)F)O)F
InChI
InChI=1S/C9H10F2N2O5/c10-5-6(16)9(11,3-14)18-7(5)13-2-1-4(15)12-8(13)17/h1-2,5-7,14,16H,3H2,(H,12,15,17)/t5-,6+,7-,9-/m1/s1
InChIKey
QMLNPJRBOJRGPS-JVZYCSMKSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
53.27
TPSA
104.55
LogP / Solubility
WLOGP
-1.58
MLOGP
-1.38
XLogP3
-1
Consensus LogP
-1.32
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very 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)
-5.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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![CAS 1612891-29-8 Palladium, [1,3-bis[2,6-bis(1-ethylpropyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(2-methylpyridine)-, (SP-4-1)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1612891-29-8.gif)
