[email protected]
CAS 1207-67-6 4-Chloro-7-methoxy-2,3-dimethylquinoline molecular structure lightbox
CAS RN: 1207-67-6

4-Chloro-7-methoxy-2,3-dimethylquinoline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 50mg Out of stock 15 business days Inquiry
  • Product code: LINC929657
GET A QUOTE

1207-67-6 / 4-chloro-7-methoxy-2,3-dimethylquinoline

4-Chloro-7-methoxy-2,3-dimethylquinoline | SB69542

Standard CAS: 1207-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1207-67-6
Multi CAS
No
Molecular Formula
C12H12ClNO
Molecular Weight
221.680000
Exact Mass
221.060742
SMILES
CC1=C(N=C2C=C(C=CC2=C1Cl)OC)C
InChI
InChI=1S/C12H12ClNO/c1-7-8(2)14-11-6-9(15-3)4-5-10(11)12(7)13/h4-6H,1-3H3
InChIKey
LGPSGLNBCYBQGL-UHFFFAOYSA-N
Synonyms
4-Chloro-7-methoxy-2,3-dimethylquinoline SB69542

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.78
TPSA
22.12

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
3.6
Consensus LogP
3.4
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-1.58

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