[email protected]
CAS 23195-61-1 3-naphthalen-2-yl-1H-[1,2,4]triazole molecular structure lightbox
CAS RN: 23195-61-1

3-naphthalen-2-yl-1H-[1,2,4]triazole

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 200mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-112747
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23195-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

23195-61-1 / 5-naphthalen-2-yl-1H-1,2,4-triazole

Standard CAS: 23195-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23195-61-1
Multi CAS
No
Molecular Formula
C12H9N3
Molecular Weight
195.220000
Exact Mass
195.079647
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NC=NN3
InChI
InChI=1S/C12H9N3/c1-2-4-10-7-11(6-5-9(10)3-1)12-13-8-14-15-12/h1-8H,(H,13,14,15)
InChIKey
JKXVBPGYSLNZPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.32
TPSA
41.57

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.9
Consensus LogP
2.61
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

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