[email protected]
CAS 144690-33-5 1H-IMidazole-5-carboxylic acid, 4-(1-hydroxy-1-Methylethyl)-2-propyl-1-[[2′-[1-(triphenylMethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]Methyl]-, ethyl ester molecular structure lightbox
CAS RN: 144690-33-5

1H-IMidazole-5-carboxylic acid, 4-(1-hydroxy-1-Methylethyl)-2-propyl-1-[[2′-[1-(triphenylMethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]Methyl]-, ethyl ester

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 100g In stock Shanghai Inquiry
Batchno.20250618 10g In stock Shanghai Inquiry
Batchno.20250717 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260510 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260421 25g In stock Shanghai Inquiry
Batchno.20251025 5g In stock Shanghai Inquiry
  • Product code: SSC-055957
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 144690-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

144690-33-5 / ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

Standard CAS: 144690-33-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
144690-33-5
Multi CAS
No
Molecular Formula
C45H44N6O3
Molecular Weight
716.900000
Exact Mass
716.347489
SMILES
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)C(C)(C)O
InChI
InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-48-49-51(42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3
InChIKey
TZQDBKJBKJIHPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
40
Fraction Csp3
0.22
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
1
Molar refractivity
209.82
TPSA
107.95

LogP / Solubility

WLOGP
8.45
MLOGP
7.5
XLogP3
8.8
Consensus LogP
8.25
Log S (ESOL)
-9.3
Class (ESOL)
Insoluble
Log S (Ali)
-11.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.09

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

Customers Also Viewed

Get In Touch

Contact Us