[email protected]
CAS 341944-06-7 3-[(2-CHLOROBENZYL)SULFANYL]-1H-1,2,4-TRIAZOL-5-YLAMINE molecular structure lightbox
CAS RN: 341944-06-7

3-[(2-CHLOROBENZYL)SULFANYL]-1H-1,2,4-TRIAZOL-5-YLAMINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250118 5mg / 10mg / 25mg / 50mg Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS341944-06-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

341944-06-7 / 3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Standard CAS: 341944-06-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
341944-06-7
Multi CAS
No
Molecular Formula
C9H9CLN4S
Molecular Weight
240.710000
Exact Mass
240.023645
InChI
InChI=1S/C9H9ClN4S/c10-7-4-2-1-3-6(7)5-15-9-12-8(11)13-14-9/h1-4H,5H2,(H3,11,12,13,14)
InChIKey
ZNOCPAKIRUVGCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.81
TPSA
67.59

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.6
Consensus LogP
2.33
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us