CAS RN: 123990-76-1
2-CHLORO-6-METHOXY-3-METHYL-QUINOLINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250413 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS123990-76-1
- Purity/Analytical Methods: >99.0%
123990-76-1 / 2-chloro-6-methoxy-3-methylquinoline
Basic Information
CAS
123990-76-1
Multi CAS
No
Molecular Formula
C11H10ClNO
Molecular Weight
207.650000
Exact Mass
207.045092
SMILES
CC1=CC2=C(C=CC(=C2)OC)N=C1Cl
InChI
InChI=1S/C11H10ClNO/c1-7-5-8-6-9(14-2)3-4-10(8)13-11(7)12/h3-6H,1-2H3
InChIKey
TVLTWDTZDXOKCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.04
TPSA
22.12
LogP / Solubility
WLOGP
3.21
MLOGP
2.82
XLogP3
3.5
Consensus LogP
3.18
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Customers Also Viewed
-
-
-
Eprinomectin
- CAS RN: 123997-26-2
- Product Code: starshine_CAS123997-26-2
- Purity/Analytical method: >99.0%
-
ICI 216,140
- CAS RN: 124001-41-8
- Product Code: starshine_CAS124001-41-8
- Purity/Analytical method: >99.0%
-
(2S,3aS,6aS)-1-(tert-butoxycarbonyl)octahydrocyclopenta[b]pyrrole-2-carboxylic acid
- CAS RN: 124002-32-0
- Product Code: SSC-027686
-
![CAS 124002-32-0 (2S,3aS,6aS)-1-(tert-butoxycarbonyl)octahydrocyclopenta[b]pyrrole-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/124002-32-0.gif)
