[email protected]
CAS 13182-89-3 Benzoylmetronildazole molecular structure lightbox
CAS RN: 13182-89-3

Benzoylmetronildazole

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250811 1kg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250902 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250602 500g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-038923
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: 25g
  • 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 13182-89-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

13182-89-3 / 2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate

Standard CAS: 13182-89-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13182-89-3
Multi CAS
No
Molecular Formula
C13H13N3O4
Molecular Weight
275.260000
Exact Mass
275.090606
SMILES
CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKey
CUUCCLJJOWSASK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
70.34
TPSA
87.26

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 52 of 59 companies

Customers Also Viewed

Get In Touch

Contact Us