CAS RN: 956139-24-5
N2-Isobutyryl-N-trityl-morpholino guanosine
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.20250111 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS956139-24-5
- Purity/Analytical Methods: >99.0%
956139-24-5 / N-[9-[(2R,6S)-6-(hydroxymethyl)-4-tritylmorpholin-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Basic Information
CAS
956139-24-5
Multi CAS
Yes
Molecular Formula
C33H34N6O4
Molecular Weight
578.700000
Exact Mass
578.264154
InChI
InChI=1S/C33H34N6O4/c1-22(2)30(41)36-32-35-29-28(31(42)37-32)34-21-39(29)27-19-38(18-26(20-40)43-27)33(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,21-22,26-27,40H,18-20H2,1-2H3,(H2,35,36,37,41,42)/t26-,27+/m0/s1
InChIKey
LNQQABQFAZWVNX-RRPNLBNLSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
27
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
3
Molar refractivity
163.39
TPSA
125.37
LogP / Solubility
WLOGP
3.9
MLOGP
3.48
XLogP3
3.9
Consensus LogP
3.76
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.62
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)
-3.48
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
6.5
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