[email protected]
CAS 77779-49-8 ETHYL 4-CHLORO-6-FLUOROQUINOLINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 77779-49-8

ETHYL 4-CHLORO-6-FLUOROQUINOLINE-3-CARBOXYLATE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-187275
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 77779-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

77779-49-8 / ethyl 4-chloro-6-fluoroquinoline-3-carboxylate

Standard CAS: 77779-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77779-49-8
Multi CAS
No
Molecular Formula
C12H9CLFNO2
Molecular Weight
253.650000
Exact Mass
253.030584
InChI
InChI=1S/C12H9ClFNO2/c1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h3-6H,2H2,1H3
InChIKey
PPHSOQWURBALSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
62.67
TPSA
39.19

LogP / Solubility

WLOGP
3.2
MLOGP
2.83
XLogP3
3.1
Consensus LogP
3.04
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-1.99

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us