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CAS 84501-67-7 1-(2-bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one molecular structure lightbox
CAS RN: 84501-67-7

1-(2-bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 100mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-192021
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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 84501-67-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

84501-67-7 / 1-(2-bromoethyl)-4-ethyltetrazol-5-one

Standard CAS: 84501-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84501-67-7
Multi CAS
No
Molecular Formula
BC5H9ORn4
Molecular Weight
221.060000
Exact Mass
219.995970
InChI
InChI=1S/C5H9BrN4O/c1-2-9-5(11)10(4-3-6)8-7-9/h2-4H2,1H3
InChIKey
KQKSCWCKLKLXJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
43.75
TPSA
52.71

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.13
XLogP3
1.4
Consensus LogP
0.37
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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