[email protected]
CAS 207728-71-0 8-HYDROXYQUINOLINE-BETA-D-GLUCURONIC ACID, SODIUM SALT molecular structure lightbox
CAS RN: 207728-71-0

8-HYDROXYQUINOLINE-BETA-D-GLUCURONIC ACID, SODIUM SALT

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS207728-71-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

207728-71-0 / sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylate

Standard CAS: 207728-71-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207728-71-0
Multi CAS
No
Molecular Formula
C15H14NNaO7
Molecular Weight
343.260000
Exact Mass
343.066796
SMILES
C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)N=CC=C2.[Na+]
InChI
InChI=1S/C15H15NO7.Na/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8;/h1-6,10-13,15,17-19H,(H,20,21);/q;+1/p-1/t10-,11-,12+,13-,15+;/m0./s1
InChIKey
QYRMLNFJXNJXLO-KSOKONAESA-M

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
3
Molar refractivity
74.06
TPSA
132.17

LogP / Solubility

WLOGP
-4.82
MLOGP
-4.23
XLogP3
-4.82
Consensus LogP
-4.62
Log S (ESOL)
0.96
Class (ESOL)
Highly soluble
Log S (Ali)
1.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.75
Class (SILICOS-IT)
Highly 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)
-8.24

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us