CAS RN: 124959-44-0
2-chloro-4-(naphthalen-2-yl)quinazoline
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.20260418 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS124959-44-0
- Purity/Analytical Methods: >99.0%
124959-44-0 / 2-chloro-4-naphthalen-2-ylquinazoline
Basic Information
CAS
124959-44-0
Multi CAS
No
Molecular Formula
C18H11ClN2
Molecular Weight
290.700000
Exact Mass
290.061076
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC4=CC=CC=C43)Cl
InChI
InChI=1S/C18H11ClN2/c19-18-20-16-8-4-3-7-15(16)17(21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKey
AELILXBWWJSIMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
87.49
TPSA
25.78
LogP / Solubility
WLOGP
5.1
MLOGP
4.5
XLogP3
5.5
Consensus LogP
5.03
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
Tectoroside
- CAS RN: 124960-89-0
- Product Code: starshine_CAS124960-89-0
- Purity/Analytical method: >99.0%
-
Raddeanoside R8
- CAS RN: 124961-61-1
- Product Code: starshine_CAS124961-61-1
- Purity/Analytical method: >99.0%
-
Ajugacumbin A
- CAS RN: 124961-66-6
- Product Code: starshine_CAS124961-66-6
- Purity/Analytical method: >99.0%
-
Ajugamarin L2
- CAS RN: 124961-67-7
- Product Code: starshine_CAS124961-67-7
- Purity/Analytical method: >99.0%
-
2-Amino-5,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
- CAS RN: 124961-84-8
- Product Code: SSC-029356
-
(S)-3-(4-Fluorophenyl)-2-hydroxypropionic Acid
- CAS RN: 124980-93-4
- Product Code: SSC-029395
![CAS 124961-84-8 2-Amino-5,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/124961-84-8.gif)
