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CAS 117-57-7 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid molecular structure lightbox
CAS RN: 117-57-7

3-Hydroxy-2-methyl-4-quinolinecarboxylic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250419 100g In stock Inquiry
Batchno.20250609 25g In stock Inquiry
Batchno.20260217 500g In stock Inquiry
Batchno.20250827 5g In stock Inquiry
  • Product code: SSC-016828
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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: 100g
  • 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 117-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

117-57-7 / 3-hydroxy-2-methylquinoline-4-carboxylic acid

3-Hydroxy-2-methylquinoline-4-carboxylic acid | 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid | 4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-

Standard CAS: 117-57-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
117-57-7
Multi CAS
Yes
Molecular Formula
C11H9NO3
Molecular Weight
203.190000
Exact Mass
203.058243
SMILES
CC1=NC2=CC=CC=C2C(=C1O)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-6-10(13)9(11(14)15)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3,(H,14,15)
InChIKey
RVGATDHHYVSTQG-UHFFFAOYSA-N
Synonyms
3-Hydroxy-2-methylquinoline-4-carboxylic acid 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid 4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl- EINECS 204-198-1 DTXSID5059458

Physical Properties

Physical Description
Yellow to green powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.1
TPSA
70.42

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
2.3
Consensus LogP
1.99
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

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 (18.4%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (81.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (81.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (81.6%): 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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