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CAS 110505-75-4 PARA-TOPOLIN RIBOSIDE 99% (HPLC) molecular structure lightbox
CAS RN: 110505-75-4

PARA-TOPOLIN RIBOSIDE 99% (HPLC)

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250904 100mg In stock Shanghai Inquiry
Batchno.20251210 10mg In stock Shanghai Inquiry
Batchno.20250330 250mg Out of stock Inquiry
Batchno.20251024 25mg In stock Shanghai Inquiry
Batchno.20250316 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS110505-75-4
  • Purity/Analytical Methods: >99.0%
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110505-75-4 / (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol

N6-(4-hydroxybenzyl)adenine riboside | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((4-hydroxyphenyl)methylamino)purin-9-yl)oxolane-3,4-diol

Standard CAS: 110505-75-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110505-75-4
Multi CAS
Yes
Molecular Formula
C17H19N5O5
Molecular Weight
373.400000
Exact Mass
373.138619
SMILES
C1=CC(=CC=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
InChIKey
UGVIXKXYLBAZND-LSCFUAHRSA-N
Synonyms
N6-(4-hydroxybenzyl)adenine riboside (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((4-hydroxyphenyl)methylamino)purin-9-yl)oxolane-3,4-diol RefChem:927412 N6-(4-Hydroxybenzyl)-adenosine

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
5
Molar refractivity
93.77
TPSA
145.78

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.19
XLogP3
0.8
Consensus LogP
0.12
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.17

Drug-likeness / Medicinal Chemistry

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

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