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CAS 123956-65-0 3′-O-t-ButyldiMethylsilyl-5′-O-(4,4′-diMethoxytrityl)-N4-acetyl cytidine molecular structure lightbox
CAS RN: 123956-65-0

3′-O-t-ButyldiMethylsilyl-5′-O-(4,4′-diMethoxytrityl)-N4-acetyl cytidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS123956-65-0
  • Purity/Analytical Methods: >99.0%
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123956-65-0 / N-[1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

Standard CAS: 123956-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123956-65-0
Multi CAS
No
Molecular Formula
C38H47N3O8Si
Molecular Weight
701.900000
Exact Mass
701.313242
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[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)O[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C38H47N3O8Si/c1-25(42)39-32-22-23-41(36(44)40-32)35-33(43)34(49-50(7,8)37(2,3)4)31(48-35)24-47-38(26-12-10-9-11-13-26,27-14-18-29(45-5)19-15-27)28-16-20-30(46-6)21-17-28/h9-23,31,33-35,43H,24H2,1-8H3,(H,39,40,42,44)/t31-,33-,34-,35-/m1/s1
InChIKey
RWIUJRXXJFJUFX-HYGOWAQNSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
24
Fraction Csp3
0.39
Rotatable bonds
12
H-bond acceptors
10
H-bond donors
2
Molar refractivity
193.05
TPSA
130.37

LogP / Solubility

WLOGP
5.88
MLOGP
5.23
XLogP3
5.88
Consensus LogP
5.66
Log S (ESOL)
-7.46
Class (ESOL)
Insoluble
Log S (Ali)
-9.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.54
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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