[email protected]
CAS 1404463-20-2 2′-ara-2′-F-2′-dG Phosphoramidite molecular structure lightbox
CAS RN: 1404463-20-2

2′-ara-2′-F-2′-dG Phosphoramidite

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1404463-20-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1404463-20-2 / N-[9-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

Standard CAS: 1404463-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1404463-20-2
Multi CAS
No
Molecular Formula
C44H53FN7O8P
Molecular Weight
857.900000
Exact Mass
857.367727
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)F
InChI
InChI=1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60-61(58-24-12-23-46)52(28(3)4)29(5)6)35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16-31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12,24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36+,38-,42-,61?/m1/s1
InChIKey
KJFUMXZZVYMQEU-SJIRJWTBSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
27
Fraction Csp3
0.43
Rotatable bonds
19
H-bond acceptors
13
H-bond donors
2
Molar refractivity
228.77
TPSA
175.08

LogP / Solubility

WLOGP
7.64
MLOGP
6.8
XLogP3
6.1
Consensus LogP
6.85
Log S (ESOL)
-9.04
Class (ESOL)
Insoluble
Log S (Ali)
-12.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.85
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)
-2.53

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

Customers Also Viewed

Get In Touch

Contact Us