[email protected]
CAS 21629-48-1 7-CHLORO-2,8-DIMETHYL-4-QUINOLINOL molecular structure lightbox
CAS RN: 21629-48-1

7-CHLORO-2,8-DIMETHYL-4-QUINOLINOL

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS21629-48-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

21629-48-1 / 7-chloro-2,8-dimethyl-1H-quinolin-4-one

Standard CAS: 21629-48-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21629-48-1
Multi CAS
No
Molecular Formula
C11H10ClNO
Molecular Weight
207.650000
Exact Mass
207.045092
SMILES
CC1=CC(=O)C2=C(N1)C(=C(C=C2)Cl)C
InChI
InChI=1S/C11H10ClNO/c1-6-5-10(14)8-3-4-9(12)7(2)11(8)13-6/h3-5H,1-2H3,(H,13,14)
InChIKey
LOJPYUFGOCWEHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.05
TPSA
32.86

LogP / Solubility

WLOGP
2.8
MLOGP
2.46
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us