CAS RN: 1496551-71-3
((2R,3R,4R,5R)-3-(benzoyloxy)-4-chloro-5-(2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)-4-Methyltetrahydrofuran-2-yl)Methyl benzoate
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.20250802 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1496551-71-3
- Purity/Analytical Methods: >99.0%
1496551-71-3 / [(2R,3R,4R,5R)-3-benzoyloxy-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl benzoate
Basic Information
CAS
1496551-71-3
Multi CAS
No
Molecular Formula
C24H21ClN2O7
Molecular Weight
484.900000
Exact Mass
484.103729
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)Cl
InChI
InChI=1S/C24H21ClN2O7/c1-24(25)19(34-21(30)16-10-6-3-7-11-16)17(14-32-20(29)15-8-4-2-5-9-15)33-22(24)27-13-12-18(28)26-23(27)31/h2-13,17,19,22H,14H2,1H3,(H,26,28,31)/t17-,19-,22-,24-/m1/s1
InChIKey
QUSIDKWVBPQGDG-PDKZGUECSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
121.86
TPSA
116.69
LogP / Solubility
WLOGP
2.51
MLOGP
2.25
XLogP3
3.1
Consensus LogP
2.62
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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