CAS RN: 81246-78-8
N4-Benzyl-3′-O-t-butyldiMethylsilyl-5′-O-(4,4′-diMethoxytrityl)cytidine
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.20251204 | 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS81246-78-8
- Purity/Analytical Methods: >99.0%
81246-78-8 / N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Basic Information
CAS
81246-78-8
Multi CAS
Yes
Molecular Formula
C43H49N3O8Si
Molecular Weight
763.900000
Exact Mass
763.328892
InChI
InChI=1S/C43H49N3O8Si/c1-42(2,3)55(6,7)54-38-35(53-40(37(38)47)46-27-26-36(45-41(46)49)44-39(48)29-14-10-8-11-15-29)28-52-43(30-16-12-9-13-17-30,31-18-22-33(50-4)23-19-31)32-20-24-34(51-5)25-21-32/h8-27,35,37-38,40,47H,28H2,1-7H3,(H,44,45,48,49)
InChIKey
ADAGVSVPBZZOKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
30
Fraction Csp3
0.33
Rotatable bonds
13
H-bond acceptors
10
H-bond donors
2
Molar refractivity
213.14
TPSA
130.37
LogP / Solubility
WLOGP
7.17
MLOGP
6.38
XLogP3
7.17
Consensus LogP
6.91
Log S (ESOL)
-8.64
Class (ESOL)
Insoluble
Log S (Ali)
-11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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