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CAS 181048-56-6 8-CHLORO-2-PHENYLQUINOLINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 181048-56-6

8-CHLORO-2-PHENYLQUINOLINE-4-CARBOXYLIC ACID

  • Product code: SSC-082342
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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: 5g
  • Available purity: ≥95%
  • 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 181048-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

181048-56-6 / 8-chloro-2-phenylquinoline-4-carboxylic acid

Standard CAS: 181048-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
181048-56-6
Multi CAS
No
Molecular Formula
C16H10ClNO2
Molecular Weight
283.710000
Exact Mass
283.040006
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O
InChI
InChI=1S/C16H10ClNO2/c17-13-8-4-7-11-12(16(19)20)9-14(18-15(11)13)10-5-2-1-3-6-10/h1-9H,(H,19,20)
InChIKey
GTLIZJUNIWMBJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.15
TPSA
50.19

LogP / Solubility

WLOGP
4.25
MLOGP
3.75
XLogP3
4
Consensus LogP
4
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43

Drug-likeness / Medicinal Chemistry

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

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