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CAS 1190089-70-3 2′-Fluoro-2′-deoxy-ara-U-3′-phosphoramidite molecular structure lightbox
CAS RN: 1190089-70-3

2′-Fluoro-2′-deoxy-ara-U-3′-phosphoramidite

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1190089-70-3
  • Purity/Analytical Methods: >99.0%
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1190089-70-3 / 3-[[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

SCHEMBL25309291 | 1-(2'-Deoxy-5'-O-DMT-2'-fluoro-b-D-arabinofuranosyl)uracil 3'-CE-phosphoramidite | 3-[({[(2R,3R,4R,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile

Standard CAS: 1190089-70-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1190089-70-3
Multi CAS
Yes
Molecular Formula
C39H46FN4O8P
Molecular Weight
748.800000
Exact Mass
748.303730
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@H]1F)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23-21-34(45)42-38(43)46)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t33-,35+,36-,37-,53?/m1/s1
InChIKey
HQHQPAYRJJMYQX-CPBIVIIKSA-N
Synonyms
SCHEMBL25309291 1-(2'-Deoxy-5'-O-DMT-2'-fluoro-b-D-arabinofuranosyl)uracil 3'-CE-phosphoramidite 3-[({[(2R,3R,4R,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile 3-[[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
24
Fraction Csp3
0.41
Rotatable bonds
17
H-bond acceptors
11
H-bond donors
1
Molar refractivity
198.48
TPSA
137.27

LogP / Solubility

WLOGP
6.46
MLOGP
5.75
XLogP3
5.3
Consensus LogP
5.84
Log S (ESOL)
-7.76
Class (ESOL)
Insoluble
Log S (Ali)
-10.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.93
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)
-2.7

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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