[email protected]
CAS 1415564-68-9 ST-836 hydrochloride molecular structure lightbox
CAS RN: 1415564-68-9

ST-836 hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251125 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1415564-68-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1415564-68-9 / N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine;hydrochloride

Standard CAS: 1415564-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415564-68-9
Multi CAS
No
Molecular Formula
C23H35ClN4OS
Molecular Weight
451.100000
Exact Mass
450.222011
SMILES
CCCN(CCN1CCN(CC1)C2=CC=CC=C2OC)C3CCC4=C(C3)SC=N4.Cl
InChI
InChI=1S/C23H34N4OS.ClH/c1-3-10-26(19-8-9-20-23(17-19)29-18-24-20)14-11-25-12-15-27(16-13-25)21-6-4-5-7-22(21)28-2;/h4-7,18-19H,3,8-17H2,1-2H3;1H
InChIKey
FQDNEMILQYIEIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
11
Fraction Csp3
0.61
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
128.69
TPSA
31.84

LogP / Solubility

WLOGP
3.97
MLOGP
3.52
XLogP3
3.97
Consensus LogP
3.82
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us