CAS RN: 41092-41-5
5′-O-Trt-N4-Bz-rC
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.20251121 | 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: LINO929047
41092-41-5 / N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Basic Information
CAS
41092-41-5
Multi CAS
Yes
Molecular Formula
C35H31N3O6
Molecular Weight
589.600000
Exact Mass
589.221286
InChI
InChI=1S/C35H31N3O6/c39-30-28(44-33(31(30)40)38-22-21-29(37-34(38)42)36-32(41)24-13-5-1-6-14-24)23-43-35(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22,28,30-31,33,39-40H,23H2,(H,36,37,41,42)
InChIKey
VPHGCMRVEOZXRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
30
Fraction Csp3
0.17
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
3
Molar refractivity
163.98
TPSA
122.91
LogP / Solubility
WLOGP
4.12
MLOGP
3.68
XLogP3
5
Consensus LogP
4.27
Log S (ESOL)
-6
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.39
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
7.5
