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CAS 225233-47-6 3-O-(4-Methoxybenzyl)-4-C-hydroxymethyl-1,2-O-isopropylidine-alpha-D-ribofuranose molecular structure lightbox
CAS RN: 225233-47-6

3-O-(4-Methoxybenzyl)-4-C-hydroxymethyl-1,2-O-isopropylidine-alpha-D-ribofuranose

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS225233-47-6
  • Purity/Analytical Methods: >99.0%
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225233-47-6 / [(3aR,6S,6aR)-5-(hydroxymethyl)-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

Standard CAS: 225233-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
225233-47-6
Multi CAS
No
Molecular Formula
C17H24O7
Molecular Weight
340.400000
Exact Mass
340.152203
SMILES
CC1(O[C@@H]2[C@@H](C(O[C@@H]2O1)(CO)CO)OCC3=CC=C(C=C3)OC)C
InChI
InChI=1S/C17H24O7/c1-16(2)22-13-14(17(9-18,10-19)24-15(13)23-16)21-8-11-4-6-12(20-3)7-5-11/h4-7,13-15,18-19H,8-10H2,1-3H3/t13-,14+,15+/m1/s1
InChIKey
GCVXUPTWMOZQQW-ILXRZTDVSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
83.38
TPSA
86.61

LogP / Solubility

WLOGP
0.81
MLOGP
0.73
XLogP3
0.2
Consensus LogP
0.58
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-4.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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