[email protected]
CAS 35225-01-5 5-(3-chlorophenyl)-1H-1,2,3-triazole molecular structure lightbox
CAS RN: 35225-01-5

5-(3-chlorophenyl)-1H-1,2,3-triazole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250307 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35225-01-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

35225-01-5 / 4-(3-chlorophenyl)-2H-triazole

Standard CAS: 35225-01-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35225-01-5
Multi CAS
No
Molecular Formula
C8H6CLN3
Molecular Weight
179.600000
Exact Mass
179.025025
InChI
InChI=1S/C8H6ClN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
InChIKey
VLAULFMSWJFSFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.83
TPSA
41.57

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us