CAS RN: 911430-74-5
Trt-dI
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.20251107 | 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS911430-74-5
- Purity/Analytical Methods: >99.0%
911430-74-5 / 9-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-1H-purin-6-one
Basic Information
CAS
911430-74-5
Multi CAS
Yes
Molecular Formula
C29H26N4O4
Molecular Weight
494.500000
Exact Mass
494.195405
InChI
InChI=1S/C29H26N4O4/c34-23-16-25(33-19-32-26-27(33)30-18-31-28(26)35)37-24(23)17-36-29(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19,23-25,34H,16-17H2,(H,30,31,35)/t23-,24+,25+/m0/s1
InChIKey
IIUOCTOEVNXRTP-ISJGIBHGSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
27
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
137.84
TPSA
102.26
LogP / Solubility
WLOGP
3.78
MLOGP
3.36
XLogP3
3.5
Consensus LogP
3.55
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06
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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