[email protected]
CAS 104992-55-4 N-Benzoyl-5′-O-(4,4-Dimethoxytrityl)-2′-O-[(tert-butyl)dimethylsilyl]adenosine-3′-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite molecular structure lightbox
CAS RN: 104992-55-4

N-Benzoyl-5′-O-(4,4-Dimethoxytrityl)-2′-O-[(tert-butyl)dimethylsilyl]adenosine-3′-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260308 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-006752
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 25g, 10g, 100g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104992-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Shanghai Inquiry
0.25g >98% 5 In Stock Beijing Inquiry
1g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
10g >98% 2 In Stock Beijing Inquiry
100g >98% 2 In Stock Shenzhen Inquiry
5g >98% 1 In Stock Shenzhen Inquiry

104992-55-4 / 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]benzamide

Bz-rA Phosphoramidite | DTXSID40463231 | RefChem:331484

Standard CAS: 104992-55-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104992-55-4
Multi CAS
Yes
Molecular Formula
C53H66N7O8PSi
Molecular Weight
988.200000
Exact Mass
987.447976
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)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI
InChI=1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-17-22-39,40-23-27-42(62-8)28-24-40)41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59-35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38/h12-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47-,51-,69?/m1/s1
InChIKey
FFXHNCNNHASXCT-RFMFGJHUSA-N
Synonyms
Bz-rA Phosphoramidite DTXSID40463231 RefChem:331484 DTXCID30414050 DMT-2'O-TBDMS-Ra(Bz) Phosphoramidite

Computed Properties

Structural Parameters

Heavy atom count
70
Aromatic heavy atom count
33
Fraction Csp3
0.42
Rotatable bonds
21
H-bond acceptors
14
H-bond donors
1
Molar refractivity
274.05
TPSA
164.34

LogP / Solubility

WLOGP
11.05
MLOGP
9.82
XLogP3
11.05
Consensus LogP
10.64
Log S (ESOL)
-11.89
Class (ESOL)
Insoluble
Log S (Ali)
-15.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.78
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)
-0.9

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

Customers Also Viewed

Get In Touch

Contact Us