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CAS 13180-36-4 ETHYL 4-HYDROXY-2-PHENYLQUINOLINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 13180-36-4

ETHYL 4-HYDROXY-2-PHENYLQUINOLINE-3-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250608 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-038910
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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 13180-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

13180-36-4 / ethyl 4-oxo-2-phenyl-1H-quinoline-3-carboxylate

Standard CAS: 13180-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13180-36-4
Multi CAS
No
Molecular Formula
C18H15NO3
Molecular Weight
293.300000
Exact Mass
293.105193
SMILES
CCOC(=O)C1=C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO3/c1-2-22-18(21)15-16(12-8-4-3-5-9-12)19-14-11-7-6-10-13(14)17(15)20/h3-11H,2H2,1H3,(H,19,20)
InChIKey
KAXJGTFTNGYKFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.96
TPSA
59.16

LogP / Solubility

WLOGP
3.37
MLOGP
2.98
XLogP3
3.6
Consensus LogP
3.32
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly 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)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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