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CAS 107555-38-4 Ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate molecular structure lightbox
CAS RN: 107555-38-4

Ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260303 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-009079
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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 107555-38-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

107555-38-4 / ethyl 6,8-difluoro-4-oxo-1H-quinoline-3-carboxylate

ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate | DTXSID10383972 | RefChem:344466

Standard CAS: 107555-38-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107555-38-4
Multi CAS
Yes
Molecular Formula
C12H9F2NO3
Molecular Weight
253.200000
Exact Mass
253.055049
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2F)F
InChI
InChI=1S/C12H9F2NO3/c1-2-18-12(17)8-5-15-10-7(11(8)16)3-6(13)4-9(10)14/h3-5H,2H2,1H3,(H,15,16)
InChIKey
NUHKASXLPYOGHW-UHFFFAOYSA-N
Synonyms
ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate DTXSID10383972 RefChem:344466 DTXCID80334996 MFCD00173349

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.44
TPSA
59.16

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
2.2
Consensus LogP
1.98
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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