CAS RN: 208193-48-0
5′-O-(4,4′-Dimethoxytrityl)-2′-deoxy-2′-fluoro-5-methyl-beta-D-arabinouridine-3′-CED-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.20250516 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS208193-48-0
- Purity/Analytical Methods: >99.0%
208193-48-0 / 3-[[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Basic Information
CAS
208193-48-0
Multi CAS
No
Molecular Formula
C40H48FN4O8P
Molecular Weight
762.800000
Exact Mass
762.319380
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N)F
InChI
InChI=1S/C40H48FN4O8P/c1-26(2)45(27(3)4)54(51-23-11-22-42)53-36-34(52-38(35(36)41)44-24-28(5)37(46)43-39(44)47)25-50-40(29-12-9-8-10-13-29,30-14-18-32(48-6)19-15-30)31-16-20-33(49-7)21-17-31/h8-10,12-21,24,26-27,34-36,38H,11,23,25H2,1-7H3,(H,43,46,47)
InChIKey
XUCJAZSCNJHDKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
24
Fraction Csp3
0.42
Rotatable bonds
17
H-bond acceptors
11
H-bond donors
1
Molar refractivity
203.22
TPSA
137.27
LogP / Solubility
WLOGP
6.77
MLOGP
6.02
XLogP3
5.7
Consensus LogP
6.16
Log S (ESOL)
-8.04
Class (ESOL)
Insoluble
Log S (Ali)
-10.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.28
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
7.5
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