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CAS 81099-86-7 7-Chloro-4-(4-hydroxyanilino)quinoline molecular structure lightbox
CAS RN: 81099-86-7

7-Chloro-4-(4-hydroxyanilino)quinoline

  • Product code: SSC-189655
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 81099-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

81099-86-7 / 4-[(7-chloroquinolin-4-yl)amino]phenol

Standard CAS: 81099-86-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81099-86-7
Multi CAS
Yes
Molecular Formula
C15H11CLN2O
Molecular Weight
270.710000
Exact Mass
270.055991
InChI
InChI=1S/C15H11ClN2O/c16-10-1-6-13-14(7-8-17-15(13)9-10)18-11-2-4-12(19)5-3-11/h1-9,19H,(H,17,18)
InChIKey
FFAVTICKABAMSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.14
TPSA
45.15

LogP / Solubility

WLOGP
4.34
MLOGP
3.83
XLogP3
2
Consensus LogP
3.39
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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