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CAS 3440-99-1 5-(3-Bromophenyl)-1H-tetrazole molecular structure lightbox
CAS RN: 3440-99-1

5-(3-Bromophenyl)-1H-tetrazole

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251228 10g In stock Shanghai Inquiry
Batchno.20250228 1g In stock Shanghai Inquiry
Batchno.20250626 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20251011 25g Out of stock Inquiry
Batchno.20260103 5g Out of stock Inquiry
  • Product code: SSC-140833
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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, 5g
  • Available purity: ＞97%
  • 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 3440-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

3440-99-1 / 5-(3-bromophenyl)-2H-tetrazole

Standard CAS: 3440-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3440-99-1
Multi CAS
No
Molecular Formula
BC7H5Rn4
Molecular Weight
225.050000
Exact Mass
223.969760
InChI
InChI=1S/C7H5BrN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey
UVKPUDRFBHSFJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.31
TPSA
54.46

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.8
Consensus LogP
1.62
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

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

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