CAS RN: 1216619-20-3
N-Acetyl Desethyl Chloroquine-d4
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.20251205 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1216619-20-3
- Purity/Analytical Methods: >99.0%
1216619-20-3 / N-[4-[(7-chloroquinolin-4-yl)amino]-1,1,2,2-tetradeuteriopentyl]-N-ethylacetamide
Basic Information
CAS
1216619-20-3
Multi CAS
No
Molecular Formula
C18H24ClN3O
Molecular Weight
337.900000
Exact Mass
337.185897
SMILES
[2H]C([2H])(CC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)C([2H])([2H])N(CC)C(=O)C
InChI
InChI=1S/C18H24ClN3O/c1-4-22(14(3)23)11-5-6-13(2)21-17-9-10-20-18-12-15(19)7-8-16(17)18/h7-10,12-13H,4-6,11H2,1-3H3,(H,20,21)/i5D2,11D2
InChIKey
HGDLFXICTKRYJP-LHJLJATRSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97
TPSA
45.23
LogP / Solubility
WLOGP
4.34
MLOGP
3.83
XLogP3
3.7
Consensus LogP
3.96
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
N,N-DiBoc-2-amino-4-bromopyridine
- CAS RN: 1216620-65-3
- Product Code: starshine_CAS1216620-65-3
- Purity/Analytical method: >99.0%
-
4-amino-5-ethylsulfonyl-2-methoxy-N-[[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methyl]benzamide
- CAS RN: 1216626-17-3
- Product Code: SSC-024304
-
5-broMo-6-Morpholinonicotinicacid
- CAS RN: 1216637-77-2
- Product Code: starshine_CAS1216637-77-2
- Purity/Analytical method: >99.0%
-
DESETHYLATRAZINE-D7
- CAS RN: 1216649-31-8
- Product Code: starshine_CAS1216649-31-8
- Purity/Analytical method: >99.0%
-
6-(5-Chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl piperazine-1-carboxylate hydrochloride
- CAS RN: 1216659-29-8
- Product Code: starshine_CAS1216659-29-8
- Purity/Analytical method: >99.0%
-
Ciprofloxacin-D8 hydrochloride hydrate (see Data Sheet)
- CAS RN: 1216659-54-9
- Product Code: starshine_CAS1216659-54-9
- Purity/Analytical method: >99.0%
![CAS 1216626-17-3 4-amino-5-ethylsulfonyl-2-methoxy-N-[[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methyl]benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1216626-17-3.gif)
![CAS 1216659-29-8 6-(5-Chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl piperazine-1-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1216659-29-8.gif)
