CAS RN: 188758-77-2
4-CHLORO-6-ETHYLQUINOLINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS188758-77-2
- Purity/Analytical Methods: >99.0%
188758-77-2 / 4-chloro-6-ethylquinoline
Basic Information
CAS
188758-77-2
Multi CAS
No
Molecular Formula
C11H10ClN
Molecular Weight
191.650000
Exact Mass
191.050177
SMILES
CCC1=CC2=C(C=CN=C2C=C1)Cl
InChI
InChI=1S/C11H10ClN/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-7H,2H2,1H3
InChIKey
VJTORLKSKVWEGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
56.13
TPSA
12.89
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
3.6
Consensus LogP
3.36
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
-
-
(3aS,3a’S,8aR,8a’R)-2,2′-(1,3-Dihydro-2H-inden-2-ylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
- CAS RN: 188780-28-1
- Product Code: SSC-087887
-
(4S,4’S)-2,2′-(1,3-Dihydro-2H-inden-2-ylidene)bis[4,5-dihydro-4-phenyloxazole
- CAS RN: 188780-32-7
- Product Code: SSC-087888
-
ETHYL 2-CHLORO-4-METHYLPYRIMIDINE-5-CARBOXYLATE
- CAS RN: 188781-08-0
- Product Code: SSC-087889
-
4-methyl-2-chloro-pyrimidine-5-carboxylic acid
- CAS RN: 188781-10-4
- Product Code: starshine_CAS188781-10-4
- Purity/Analytical method: >99.0%
![CAS 188780-28-1 (3aS,3a’S,8aR,8a’R)-2,2′-(1,3-Dihydro-2H-inden-2-ylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/188780-28-1.gif)
