CAS RN: 18404-90-5
5′-Trt-N6-Bz-rA
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.20260503 | 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS18404-90-5
- Purity/Analytical Methods: >99.0%
18404-90-5 / N-[9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-yl]benzamide
Basic Information
CAS
18404-90-5
Multi CAS
No
Molecular Formula
C36H31N5O5
Molecular Weight
613.700000
Exact Mass
613.232519
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O)O
InChI
InChI=1S/C36H31N5O5/c42-30-28(21-45-36(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27)46-35(31(30)43)41-23-39-29-32(37-22-38-33(29)41)40-34(44)24-13-5-1-6-14-24/h1-20,22-23,28,30-31,35,42-43H,21H2,(H,37,38,40,44)
InChIKey
CLQLOYVVKMWBIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
33
Fraction Csp3
0.17
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
3
Molar refractivity
170.8
TPSA
131.62
LogP / Solubility
WLOGP
4.71
MLOGP
4.19
XLogP3
4.6
Consensus LogP
4.5
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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- Product Code: starshine_CAS18412-96-9
- Purity/Analytical method: >99.0%
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