CAS RN: 98056-69-0
5′-O-(DIMETHOXYTRITYL)-N6-METHYL-2′-DEOXYADENOSINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250912 | 25mg / 100mg / 250mg / 500mg | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: starshine_CAS98056-69-0
- Purity/Analytical Methods: >99.0%
98056-69-0 / (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
Basic Information
CAS
98056-69-0
Multi CAS
Yes
Molecular Formula
C32H33N5O5
Molecular Weight
567.600000
Exact Mass
567.248169
InChI
InChI=1S/C32H33N5O5/c1-33-30-29-31(35-19-34-30)37(20-36-29)28-17-26(38)27(42-28)18-41-32(21-7-5-4-6-8-21,22-9-13-24(39-2)14-10-22)23-11-15-25(40-3)16-12-23/h4-16,19-20,26-28,38H,17-18H2,1-3H3,(H,33,34,35)/t26-,27+,28+/m0/s1
InChIKey
OKZZBPBWGABLJR-UPRLRBBYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
27
Fraction Csp3
0.28
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
2
Molar refractivity
157.67
TPSA
112.78
LogP / Solubility
WLOGP
4.54
MLOGP
4.04
XLogP3
4.4
Consensus LogP
4.33
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.96
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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