[email protected]
CAS 77173-67-2 ETHYL 4-CHLORO-8-CYANOQUINOXALINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 77173-67-2

ETHYL 4-CHLORO-8-CYANOQUINOXALINE-3-CARBOXYLATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-186668
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: 1g
  • Available purity: ＞95%
  • 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 77173-67-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

77173-67-2 / ethyl 4-chloro-8-cyanoquinoline-3-carboxylate

Standard CAS: 77173-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77173-67-2
Multi CAS
No
Molecular Formula
C13H9CLN2O2
Molecular Weight
260.670000
Exact Mass
260.035255
InChI
InChI=1S/C13H9ClN2O2/c1-2-18-13(17)10-7-16-12-8(6-15)4-3-5-9(12)11(10)14/h3-5,7H,2H2,1H3
InChIKey
MHOFAUCLSGVKOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.42
TPSA
62.98

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.8
Consensus LogP
2.78
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

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