CAS RN: 75759-63-6
5′-O-Trt-N2-iBu-dG
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.20260104 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: LINO929122
75759-63-6 / N-[9-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Basic Information
CAS
75759-63-6
Multi CAS
Yes
Molecular Formula
C33H33N5O5
Molecular Weight
579.600000
Exact Mass
579.248169
InChI
InChI=1S/C33H33N5O5/c1-21(2)30(40)36-32-35-29-28(31(41)37-32)34-20-38(29)27-18-25(39)26(43-27)19-42-33(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20-21,25-27,39H,18-19H2,1-2H3,(H2,35,36,37,40,41)/t25-,26+,27+/m0/s1
InChIKey
XFLFDIWMVOQTOI-OYUWMTPXSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
27
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
3
Molar refractivity
161.31
TPSA
131.36
LogP / Solubility
WLOGP
4.37
MLOGP
3.89
XLogP3
4.1
Consensus LogP
4.12
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
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)
-3.15
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
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