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CAS 29266-96-4 8-HYDROXYQUINOLINE-BETA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 29266-96-4

8-HYDROXYQUINOLINE-BETA-D-GLUCOPYRANOSIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS29266-96-4
  • Purity/Analytical Methods: >99.0%
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29266-96-4 / (2R,3S,4S,5R)-2-(hydroxymethyl)-6-quinolin-8-yloxyoxane-3,4,5-triol

Standard CAS: 29266-96-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29266-96-4
Multi CAS
Yes
Molecular Formula
C15H17NO6
Molecular Weight
307.300000
Exact Mass
307.105587
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-GSZWNOCJSA-N

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

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