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CAS 256224-01-8 3′-O-MOE-A(Bz)-2′-CED-phosphoramidite molecular structure lightbox
CAS RN: 256224-01-8

3′-O-MOE-A(Bz)-2′-CED-phosphoramidite

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS256224-01-8
  • Purity/Analytical Methods: >99.0%
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256224-01-8 / N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]purin-6-yl]benzamide

Standard CAS: 256224-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
256224-01-8
Multi CAS
No
Molecular Formula
C50H58N7O9P
Molecular Weight
932.000000
Exact Mass
931.403363
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OCCOC
InChI
InChI=1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-45-44(62-30-29-59-5)42(65-49(45)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11-16-36)31-63-50(37-17-12-9-13-18-37,38-19-23-40(60-6)24-20-38)39-21-25-41(61-7)26-22-39/h8-13,15-26,32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-,44-,45-,49-,67?/m1/s1
InChIKey
FODCLDRFHMYZMX-HDMAWCRFSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
33
Fraction Csp3
0.38
Rotatable bonds
23
H-bond acceptors
15
H-bond donors
1
Molar refractivity
253.59
TPSA
173.57

LogP / Solubility

WLOGP
8.69
MLOGP
7.74
XLogP3
6.6
Consensus LogP
7.68
Log S (ESOL)
-9.94
Class (ESOL)
Insoluble
Log S (Ali)
-13.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.69
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)
-2.23

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
8.5

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