CAS RN: 75759-62-5
5′-O-Trt-N6-Bz-dA
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.20250829 | 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: LINO929049
75759-62-5 / N-[9-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-yl]benzamide
Basic Information
CAS
75759-62-5
Multi CAS
Yes
Molecular Formula
C36H31N5O4
Molecular Weight
597.700000
Exact Mass
597.237604
InChI
InChI=1S/C36H31N5O4/c42-29-21-31(41-24-39-32-33(37-23-38-34(32)41)40-35(43)25-13-5-1-6-14-25)45-30(29)22-44-36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,23-24,29-31,42H,21-22H2,(H,37,38,40,43)/t29-,30+,31+/m0/s1
InChIKey
YAWKHIRUPXFKPL-OJDZSJEKSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
33
Fraction Csp3
0.17
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
169.41
TPSA
111.39
LogP / Solubility
WLOGP
5.74
MLOGP
5.1
XLogP3
4.9
Consensus LogP
5.25
Log S (ESOL)
-7.11
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.39
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
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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