[email protected]
CAS 2251-79-8 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole molecular structure lightbox
CAS RN: 2251-79-8

5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250920 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250715 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250108 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250910 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-110082
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: 5g
  • Available purity: ＞97%
  • 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 2251-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

2251-79-8 / 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole

Standard CAS: 2251-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2251-79-8
Multi CAS
No
Molecular Formula
C8H5F3N4
Molecular Weight
214.150000
Exact Mass
214.046631
SMILES
C1=CC(=CC=C1C2=NNN=N2)C(F)(F)F
InChI
InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChIKey
CCVCHQBLMDMSNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.62
TPSA
54.46

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.69

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