[email protected]
CAS 857041-65-7 2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethanamine molecular structure lightbox
CAS RN: 857041-65-7

2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethanamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
GET A QUOTE

857041-65-7 / 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine

2-(4-methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine | RefChem:458151 | 855-426-7

Standard CAS: 857041-65-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
857041-65-7
Multi CAS
No
Molecular Formula
C11H19N3S
Molecular Weight
225.360000
Exact Mass
225.129969
SMILES
CN1CCN(CC1)C(CN)C2=CC=CS2
InChI
InChI=1S/C11H19N3S/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11/h2-3,8,10H,4-7,9,12H2,1H3
InChIKey
QHKYTFGXTUYNGA-UHFFFAOYSA-N
Synonyms
2-(4-methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine RefChem:458151 855-426-7 2-(4-Methyl-piperazin-1-yl)-2-thiophen-2-yl-ethylamine MFCD06655134

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.18
TPSA
32.5

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.4
Consensus LogP
0.76
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Customers Also Viewed

Get In Touch

Contact Us