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CAS 153248-58-9 N-Acetyl-5′-O-(4,4-dimethoxytrityl)-2′-O-[(tert-butyl)dimethylsilyl]-6′-O-methylguanosine-3′-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite molecular structure lightbox
CAS RN: 153248-58-9

N-Acetyl-5′-O-(4,4-dimethoxytrityl)-2′-O-[(tert-butyl)dimethylsilyl]-6′-O-methylguanosine-3′-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS153248-58-9
  • Purity/Analytical Methods: >99.0%
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153248-58-9 / N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-methoxypurin-2-yl]acetamide

Standard CAS: 153248-58-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153248-58-9
Multi CAS
No
Molecular Formula
C49H66N7O9PSi
Molecular Weight
956.100000
Exact Mass
955.442890
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=NC3=C2N=C(N=C3OC)NC(=O)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
InChI
InChI=1S/C49H66N7O9PSi/c1-32(2)56(33(3)4)66(62-29-17-28-50)64-42-40(30-61-49(35-18-15-14-16-19-35,36-20-24-38(58-9)25-21-36)37-22-26-39(59-10)27-23-37)63-46(43(42)65-67(12,13)48(6,7)8)55-31-51-41-44(55)53-47(52-34(5)57)54-45(41)60-11/h14-16,18-27,31-33,40,42-43,46H,17,29-30H2,1-13H3,(H,52,53,54,57)/t40-,42-,43-,46-,66?/m1/s1
InChIKey
BIWZKQDWICJCRR-UTESLAMRSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
27
Fraction Csp3
0.49
Rotatable bonds
21
H-bond acceptors
15
H-bond donors
1
Molar refractivity
260.51
TPSA
173.57

LogP / Solubility

WLOGP
9.77
MLOGP
8.69
XLogP3
9.77
Consensus LogP
9.41
Log S (ESOL)
-10.83
Class (ESOL)
Insoluble
Log S (Ali)
-14.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.5
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)
-1.62

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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