[email protected]
CAS 109060-66-4 5-(3-BROMOPHENYL)-1,3,4-OXADIAZOL-2-AMINE molecular structure lightbox
CAS RN: 109060-66-4

5-(3-BROMOPHENYL)-1,3,4-OXADIAZOL-2-AMINE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260111 10g Out of stock Inquiry
Batchno.20260625 1g In stock Shanghai Inquiry
Batchno.20260630 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250203 5g In stock Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-010224
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: ≥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 109060-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

109060-66-4 / 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine

5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine | DTXSID20392974 | RefChem:299647

Standard CAS: 109060-66-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109060-66-4
Multi CAS
No
Molecular Formula
C8H6BrN3O
Molecular Weight
240.060000
Exact Mass
238.969420
SMILES
C1=CC(=CC(=C1)Br)C2=NN=C(O2)N
InChI
InChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKey
CVVNMXRTDJRCHC-UHFFFAOYSA-N
Synonyms
5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine DTXSID20392974 RefChem:299647 DTXCID70343835 MFCD04627325

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.85
TPSA
64.94

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
1.8
Consensus LogP
1.91
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us