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CAS 684284-29-5 5,8-Dihydroxy-[6,7]-N-(4-fluorobenzyl)-succinimido-quinoline molecular structure lightbox
CAS RN: 684284-29-5

5,8-Dihydroxy-[6,7]-N-(4-fluorobenzyl)-succinimido-quinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251214 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: LIND928899
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684284-29-5 / 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione

Standard CAS: 684284-29-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
684284-29-5
Multi CAS
No
Molecular Formula
C18FH11N2O4
Molecular Weight
338.300000
Exact Mass
338.070285
InChI
InChI=1S/C18H11FN2O4/c19-10-5-3-9(4-6-10)8-21-17(24)12-13(18(21)25)16(23)14-11(15(12)22)2-1-7-20-14/h1-7,24-25H,8H2
InChIKey
GTTQYRQAGOOQTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
84.37
TPSA
92.42

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
3.6
Consensus LogP
2.62
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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