CAS RN: 688009-09-8
DTBS-GEMCITABINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS688009-09-8
- Purity/Analytical Methods: >99.0%
688009-09-8 / 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl]pyrimidin-2-one
Basic Information
CAS
688009-09-8
Multi CAS
Yes
Molecular Formula
C21F2H39N3O4Si2
Molecular Weight
491.700000
Exact Mass
491.244716
InChI
InChI=1S/C21H39F2N3O4Si2/c1-19(2,3)31(7,8)28-13-14-16(30-32(9,10)20(4,5)6)21(22,23)17(29-14)26-12-11-15(24)25-18(26)27/h11-12,14,16-17H,13H2,1-10H3,(H2,24,25,27)
InChIKey
LUWQMPCKYNDDGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.81
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
126.99
TPSA
88.6
LogP / Solubility
WLOGP
4.77
MLOGP
4.23
XLogP3
4.77
Consensus LogP
4.59
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33
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
4
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