CAS RN: 1803605-68-6
N-cycloheptyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide hydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260420 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20250217 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251012 | 1g | Out of stock | Inquiry | |
| Batchno.20251129 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250102 | 250mg | Out of stock | Inquiry | |
| Batchno.20260410 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1803605-68-6
- Purity/Analytical Methods: >99.0%
1803605-68-6 / N-cycloheptyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
Basic Information
CAS
1803605-68-6
Multi CAS
No
Molecular Formula
C12H22ClN3OS
Molecular Weight
291.840000
Exact Mass
291.117211
SMILES
C1CCCC(CC1)NC(=O)CSC2=NCCN2.Cl
InChI
InChI=1S/C12H21N3OS.ClH/c16-11(9-17-12-13-7-8-14-12)15-10-5-3-1-2-4-6-10;/h10H,1-9H2,(H,13,14)(H,15,16);1H
InChIKey
TZICOTBZKPHMMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.64
TPSA
53.49
LogP / Solubility
WLOGP
1.94
MLOGP
1.72
XLogP3
1.94
Consensus LogP
1.87
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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