CAS RN: 190601-22-0
Landiolol impurity K
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.20250307 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS190601-22-0
- Purity/Analytical Methods: >99.0%
190601-22-0 / 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoic acid
Basic Information
CAS
190601-22-0
Multi CAS
No
Molecular Formula
C19H29N3O6
Molecular Weight
395.400000
Exact Mass
395.205636
SMILES
C1COCCN1C(=O)NCCNC[C@@H](COC2=CC=C(C=C2)CCC(=O)O)O
InChI
InChI=1S/C19H29N3O6/c23-16(13-20-7-8-21-19(26)22-9-11-27-12-10-22)14-28-17-4-1-15(2-5-17)3-6-18(24)25/h1-2,4-5,16,20,23H,3,6-14H2,(H,21,26)(H,24,25)/t16-/m0/s1
InChIKey
VZVQHRFHVTZVSV-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
4
Molar refractivity
102.56
TPSA
120.36
LogP / Solubility
WLOGP
0.07
MLOGP
0.09
XLogP3
-2.7
Consensus LogP
-0.85
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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