CAS RN: 133229-11-5
AM 92016 hydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS133229-11-5
- Purity/Analytical Methods: >99.0%
133229-11-5 / N-[4-[3-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide;hydrochloride
Basic Information
CAS
133229-11-5
Multi CAS
No
Molecular Formula
C19H25Cl3N2O4S
Molecular Weight
483.800000
Exact Mass
482.060062
SMILES
CN(CCC1=CC(=C(C=C1)Cl)Cl)CC(COC2=CC=C(C=C2)NS(=O)(=O)C)O.Cl
InChI
InChI=1S/C19H24Cl2N2O4S.ClH/c1-23(10-9-14-3-8-18(20)19(21)11-14)12-16(24)13-27-17-6-4-15(5-7-17)22-28(2,25)26;/h3-8,11,16,22,24H,9-10,12-13H2,1-2H3;1H
InChIKey
TXOARFPCQOBODS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
121.32
TPSA
78.87
LogP / Solubility
WLOGP
3.7
MLOGP
3.29
XLogP3
3.7
Consensus LogP
3.56
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
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
Yes
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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