[email protected]
CAS 101565-95-1 meta-METHOXYTOPOLIN RIBOSIDE (MemTR) molecular structure lightbox
CAS RN: 101565-95-1

meta-METHOXYTOPOLIN RIBOSIDE (MemTR)

  • Product code: SSC-002388
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101565-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

101565-95-1 / (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(3-methoxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol

Adenosine, N-[(3-methoxyphenyl)methyl]- | N6-(m-Methoxybenzyl)adenosine | CHEMBL225786

Standard CAS: 101565-95-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101565-95-1
Multi CAS
Yes
Molecular Formula
C18H21N5O5
Molecular Weight
387.400000
Exact Mass
387.154269
SMILES
COC1=CC=CC(=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C18H21N5O5/c1-27-11-4-2-3-10(5-11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
InChIKey
YUPMHVHUPBAVAS-SCFUHWHPSA-N
Synonyms
Adenosine, N-[(3-methoxyphenyl)methyl]- N6-(m-Methoxybenzyl)adenosine CHEMBL225786 (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-((3-methoxybenzyl)amino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(3-methoxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
4
Molar refractivity
98.65
TPSA
134.78

LogP / Solubility

WLOGP
0.06
MLOGP
0.07
XLogP3
1.1
Consensus LogP
0.41
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-5.04

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us