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CAS 129470-47-9 3′-TBDMS-Bz-rC Phosphoramidite molecular structure lightbox
CAS RN: 129470-47-9

3′-TBDMS-Bz-rC Phosphoramidite

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS129470-47-9
  • Purity/Analytical Methods: >99.0%
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129470-47-9 / N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Standard CAS: 129470-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129470-47-9
Multi CAS
No
Molecular Formula
C52H66N5O9PSi
Molecular Weight
964.200000
Exact Mass
963.436742
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C52H66N5O9PSi/c1-36(2)57(37(3)4)67(63-34-18-32-53)65-47-46(66-68(10,11)51(5,6)7)44(64-49(47)56-33-31-45(55-50(56)59)54-48(58)38-19-14-12-15-20-38)35-62-52(39-21-16-13-17-22-39,40-23-27-42(60-8)28-24-40)41-25-29-43(61-9)30-26-41/h12-17,19-31,33,36-37,44,46-47,49H,18,34-35H2,1-11H3,(H,54,55,58,59)/t44-,46-,47-,49-,67?/m1/s1
InChIKey
KGHSXHZESVOJIE-YOVDOAOFSA-N

Computed Properties

Structural Parameters

Heavy atom count
68
Aromatic heavy atom count
30
Fraction Csp3
0.42
Rotatable bonds
21
H-bond acceptors
13
H-bond donors
1
Molar refractivity
267.22
TPSA
155.63

LogP / Solubility

WLOGP
10.47
MLOGP
9.31
XLogP3
10.47
Consensus LogP
10.08
Log S (ESOL)
-11.35
Class (ESOL)
Insoluble
Log S (Ali)
-15.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.14
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)
-1.17

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
8

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