[email protected]
CAS 10548-46-6 1,6-Anhydro-2,3,4-tri-O-benzyl-β-D-glucopyranose molecular structure lightbox
CAS RN: 10548-46-6

1,6-Anhydro-2,3,4-tri-O-benzyl-β-D-glucopyranose

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 1g Out of stock 30 business days Inquiry
  • Product code: ICTA2637
GET A QUOTE

10548-46-6 / (1R,2R,3S,4R,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane

NSC689187 | 2,3,4-tribenzyloxy-6,8-dioxabicyclo[3.2.1]octane | 2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane

Standard CAS: 10548-46-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10548-46-6
Multi CAS
Yes
Molecular Formula
C27H28O5
Molecular Weight
432.500000
Exact Mass
432.193674
SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C27H28O5/c1-4-10-20(11-5-1)16-28-24-23-19-31-27(32-23)26(30-18-22-14-8-3-9-15-22)25(24)29-17-21-12-6-2-7-13-21/h1-15,23-27H,16-19H2/t23-,24-,25+,26-,27-/m1/s1
InChIKey
JSRSLTCFTYHIRT-IURCNINISA-N
Synonyms
NSC689187 2,3,4-tribenzyloxy-6,8-dioxabicyclo[3.2.1]octane 2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane 2,3,4-tris(benzyloxy)-6,8-dioxabicyclo[3.2.1]octane CHEMBL1982920

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
119.67
TPSA
46.15

LogP / Solubility

WLOGP
4.5
MLOGP
3.99
XLogP3
3.9
Consensus LogP
4.13
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us