[email protected]
CAS 113079-84-8 8-HYDROXYQUINOLINE-BETA-D-GALACTOPYRANOSIDE molecular structure lightbox
CAS RN: 113079-84-8

8-HYDROXYQUINOLINE-BETA-D-GALACTOPYRANOSIDE

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250510 100mg Out of stock Inquiry
Batchno.20250708 1g Out of stock Inquiry
Batchno.20250920 250mg Out of stock Inquiry
  • Product code: starshine_CAS113079-84-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

113079-84-8 / (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-quinolin-8-yloxyoxane-3,4,5-triol

8-Hydroxyquinoline-b-D-galactopyranoside | (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(quinolin-8-yloxy)tetrahydro-2H-pyran-3,4,5-triol | 8-Quinolinyl-beta-D-galactopyranoside

Standard CAS: 113079-84-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113079-84-8
Multi CAS
Yes
Molecular Formula
C15H17NO6
Molecular Weight
307.300000
Exact Mass
307.105587
SMILES
C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)N=CC=C2
InChI
InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12+,13+,14-,15-/m1/s1
InChIKey
BWMXDESAZVPVGR-BGNCJLHMSA-N
Synonyms
8-Hydroxyquinoline-b-D-galactopyranoside (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(quinolin-8-yloxy)tetrahydro-2H-pyran-3,4,5-triol 8-Quinolinyl-beta-D-galactopyranoside Oprea1_340051 SCHEMBL13323128

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
4
Molar refractivity
76.14
TPSA
112.27

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.5
XLogP3
-0.6
Consensus LogP
-0.56
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
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)
-5.01

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us