CAS RN: 149989-64-0
DMT-2’O-TBDMS-RA(TAC) AMIDITE 0.5G AB
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251118 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS149989-64-0
- Purity/Analytical Methods: >99.0%
149989-64-0 / 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]purin-6-yl]-2-(4-tert-butylphenoxy)acetamide
Basic Information
CAS
149989-64-0
Multi CAS
No
Molecular Formula
C58H76N7O9PSi
Molecular Weight
1074.300000
Exact Mass
1073.521141
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=C(N=CN=C32)NC(=O)COC4=CC=C(C=C4)C(C)(C)C)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI
InChI=1S/C58H76N7O9PSi/c1-39(2)65(40(3)4)75(71-34-18-33-59)73-51-48(35-70-58(42-19-16-15-17-20-42,43-23-27-45(67-11)28-24-43)44-25-29-46(68-12)30-26-44)72-55(52(51)74-76(13,14)57(8,9)10)64-38-62-50-53(60-37-61-54(50)64)63-49(66)36-69-47-31-21-41(22-32-47)56(5,6)7/h15-17,19-32,37-40,48,51-52,55H,18,34-36H2,1-14H3,(H,60,61,63,66)/t48-,51-,52-,55-,75?/m1/s1
InChIKey
FWMHZIXOXNRHDJ-MGFFOSEMSA-N
Computed Properties
Structural Parameters
Heavy atom count
76
Aromatic heavy atom count
33
Fraction Csp3
0.47
Rotatable bonds
23
H-bond acceptors
15
H-bond donors
1
Molar refractivity
298.92
TPSA
173.57
LogP / Solubility
WLOGP
12.12
MLOGP
10.77
XLogP3
12.12
Consensus LogP
11.67
Log S (ESOL)
-12.94
Class (ESOL)
Insoluble
Log S (Ali)
-17.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.46
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)
-0.67
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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