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CAS 216257-37-3 4-Chloroquinoline-8-carboxylic acid molecular structure lightbox
CAS RN: 216257-37-3

4-Chloroquinoline-8-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-103629
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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 216257-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

216257-37-3 / 4-chloroquinoline-8-carboxylic acid

Standard CAS: 216257-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216257-37-3
Multi CAS
No
Molecular Formula
C10H6ClNO2
Molecular Weight
207.610000
Exact Mass
207.008706
SMILES
C1=CC2=C(C=CN=C2C(=C1)C(=O)O)Cl
InChI
InChI=1S/C10H6ClNO2/c11-8-4-5-12-9-6(8)2-1-3-7(9)10(13)14/h1-5H,(H,13,14)
InChIKey
QLGATRTYRGPJDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.71
TPSA
50.19

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

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

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