[email protected]
CAS 119824-65-6 N6-Phenoxyacetyladenosine molecular structure lightbox
CAS RN: 119824-65-6

N6-Phenoxyacetyladenosine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260306 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS119824-65-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

119824-65-6 / N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-2-phenoxyacetamide

Oprea1_654178 | N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-2-phenoxyacetamide | AKOS002266390

Standard CAS: 119824-65-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119824-65-6
Multi CAS
Yes
Molecular Formula
C18H19N5O6
Molecular Weight
401.400000
Exact Mass
401.133533
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C18H19N5O6/c24-6-11-14(26)15(27)18(29-11)23-9-21-13-16(19-8-20-17(13)23)22-12(25)7-28-10-4-2-1-3-5-10/h1-5,8-9,11,14-15,18,24,26-27H,6-7H2,(H,19,20,22,25)/t11-,14-,15-,18-/m1/s1
InChIKey
FLHMVFSWPWAGQW-XKLVTHTNSA-N
Synonyms
Oprea1_654178 N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-2-phenoxyacetamide AKOS002266390 ST50754356 N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}-2-phenoxyacetamid e

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
4
Molar refractivity
98.9
TPSA
151.85

LogP / Solubility

WLOGP
-0.54
MLOGP
-0.46
XLogP3
-0.1
Consensus LogP
-0.37
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us