[email protected]
CAS 876-95-9 7-Chloro-cinnolin-4-ol molecular structure lightbox
CAS RN: 876-95-9

7-Chloro-cinnolin-4-ol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260529 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS876-95-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

876-95-9 / 7-chloro-1H-cinnolin-4-one

Standard CAS: 876-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
876-95-9
Multi CAS
Yes
Molecular Formula
C8H5CLN2O
Molecular Weight
180.590000
Exact Mass
180.009041
InChI
InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)11-10-4-8(6)12/h1-4H,(H,11,12)
InChIKey
PBZDLEGIQGUEIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.37
TPSA
45.75

LogP / Solubility

WLOGP
1.58
MLOGP
1.38
XLogP3
1.4
Consensus LogP
1.45
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-2.7

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us