[email protected]
CAS 173532-15-5 TIZANIDINE RELATED COMPOUND B (50 MG) (N-ACETYLTIZANIDINE) molecular structure lightbox
CAS RN: 173532-15-5

TIZANIDINE RELATED COMPOUND B (50 MG) (N-ACETYLTIZANIDINE)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS173532-15-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

173532-15-5 / 1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone

Standard CAS: 173532-15-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
173532-15-5
Multi CAS
No
Molecular Formula
C11H10ClN5OS
Molecular Weight
295.750000
Exact Mass
295.029459
SMILES
CC(=O)N1CCN=C1NC2=C(C=CC3=NSN=C32)Cl
InChI
InChI=1S/C11H10ClN5OS/c1-6(18)17-5-4-13-11(17)14-9-7(12)2-3-8-10(9)16-19-15-8/h2-3H,4-5H2,1H3,(H,13,14)
InChIKey
NBGDKTHDTLEUQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
75.74
TPSA
70.48

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
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 Health Hazard
Signal
Warning
GHS Hazard Statements
H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us