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CAS 119778-64-2 2-CYCLOPROPYL-QUINOLINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 119778-64-2

2-CYCLOPROPYL-QUINOLINE-4-CARBOXYLIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-020505
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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 119778-64-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

119778-64-2 / 2-cyclopropylquinoline-4-carboxylic acid

2-cyclopropylquinoline-4-carboxylic acid | DTXSID80298387 | RefChem:260045

Standard CAS: 119778-64-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119778-64-2
Multi CAS
Yes
Molecular Formula
C13H11NO2
Molecular Weight
213.230000
Exact Mass
213.078979
SMILES
C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C13H11NO2/c15-13(16)10-7-12(8-5-6-8)14-11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2,(H,15,16)
InChIKey
HYOFXKNWXLKLSH-UHFFFAOYSA-N
Synonyms
2-cyclopropylquinoline-4-carboxylic acid DTXSID80298387 RefChem:260045 DTXCID10249524 673-831-5

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.68
TPSA
50.19

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
2.3
Consensus LogP
2.53
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.03

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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