CAS RN: 84416-85-3
5′-O-(4,4′-DIMETHOXYTRITYL)-2′-DEOXYTHYMIDINE-3′-(METHYL-N,N-DIISOPROPYL)PHOSPHORAMIDITE
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.20250518 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS84416-85-3
- Purity/Analytical Methods: >99.0%
84416-85-3 / 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-methoxyphosphoryl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Basic Information
CAS
84416-85-3
Multi CAS
Yes
Molecular Formula
C38H48N3O9P
Molecular Weight
721.800000
Exact Mass
721.312817
InChI
InChI=1S/C38H48N3O9P/c1-25(2)41(26(3)4)51(44,47-8)50-33-22-35(40-23-27(5)36(42)39-37(40)43)49-34(33)24-48-38(28-12-10-9-11-13-28,29-14-18-31(45-6)19-15-29)30-16-20-32(46-7)21-17-30/h9-21,23,25-26,33-35H,22,24H2,1-8H3,(H,39,42,43)/t33-,34+,35+,51?/m0/s1
InChIKey
BFAAKSZTGKHGAZ-KNZOWJQWSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
24
Fraction Csp3
0.42
Rotatable bonds
15
H-bond acceptors
10
H-bond donors
1
Molar refractivity
194.45
TPSA
130.55
LogP / Solubility
WLOGP
6.42
MLOGP
5.71
XLogP3
5.4
Consensus LogP
5.84
Log S (ESOL)
-7.72
Class (ESOL)
Insoluble
Log S (Ali)
-10.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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