CAS RN: 1177600-74-6
N-(4-BroMophenyl)-3,5-diMethyl-1-piperidinepropanaMide Hydrochloride
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.20250116 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1177600-74-6
- Purity/Analytical Methods: >99.0%
1177600-74-6 / N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride
SMANT hydrochloride | N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide hydrochloride | N-(4-Bromophenyl)-3,5-dimethyl-1-piperidinepropanamide hydrochloride
Basic Information
CAS
1177600-74-6
Multi CAS
Yes
Molecular Formula
C16H24BrClN2O
Molecular Weight
375.700000
Exact Mass
374.076050
SMILES
CC1CC(CN(C1)CCC(=O)NC2=CC=C(C=C2)Br)C.Cl
InChI
InChI=1S/C16H23BrN2O.ClH/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-5-3-14(17)4-6-15;/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);1H
InChIKey
XQESCHFXROUCOQ-UHFFFAOYSA-N
Synonyms
SMANT hydrochloride
N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide hydrochloride
N-(4-Bromophenyl)-3,5-dimethyl-1-piperidinepropanamide hydrochloride
SMANT HCl
SMANT (hydrochloride)
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
94.02
TPSA
32.34
LogP / Solubility
WLOGP
4.18
MLOGP
3.7
XLogP3
4.18
Consensus LogP
4.02
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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