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CAS 133051-88-4 5-[4′-(Bromomethyl)-[1,1′-biphenyl]-2-yl]-2-(triphenylmethyl)-2H-tetrazole molecular structure lightbox
CAS RN: 133051-88-4

5-[4′-(Bromomethyl)-[1,1′-biphenyl]-2-yl]-2-(triphenylmethyl)-2H-tetrazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250526 200mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-039712
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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
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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 133051-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

133051-88-4 / 5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole

Standard CAS: 133051-88-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
133051-88-4
Multi CAS
No
Molecular Formula
C33H25BrN4
Molecular Weight
557.500000
Exact Mass
556.126260
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4N=C(N=N4)C5=CC=CC=C5C6=CC=C(C=C6)CBr
InChI
InChI=1S/C33H25BrN4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-37-38(36-32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2
InChIKey
WROIFZUSIQAQBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
35
Fraction Csp3
0.06
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
155.93
TPSA
43.6

LogP / Solubility

WLOGP
7.74
MLOGP
6.86
XLogP3
8.7
Consensus LogP
7.77
Log S (ESOL)
-8.39
Class (ESOL)
Insoluble
Log S (Ali)
-9.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.62

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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