CAS RN: 1928763-08-9
ML418
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260513 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1928763-08-9
- Purity/Analytical Methods: >99.0%
1928763-08-9 / propan-2-yl N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]carbamate
Basic Information
CAS
1928763-08-9
Multi CAS
No
Molecular Formula
C19H24ClN3O3
Molecular Weight
377.900000
Exact Mass
377.150619
SMILES
CC(C)OC(=O)NC1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C19H24ClN3O3/c1-12(2)26-19(25)22-14-5-8-23(9-6-14)11-13-10-16(20)15-4-3-7-21-17(15)18(13)24/h3-4,7,10,12,14,24H,5-6,8-9,11H2,1-2H3,(H,22,25)
InChIKey
CWIXCQOSULUGBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
101.47
TPSA
74.69
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
3.4
Consensus LogP
3.45
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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