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CAS 2328091-01-4 Carbamic acid,N-(7-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-,1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 2328091-01-4

Carbamic acid,N-(7-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-,1,1-dimethylethyl ester

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250218 1g In stock Shenzhen Inquiry
Batchno.20260219 250mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250119 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250501 5g Out of stock Inquiry
  • Product code: SSC-112981
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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 2328091-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2328091-01-4 / tert-butyl N-(7-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate

Standard CAS: 2328091-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2328091-01-4
Multi CAS
No
Molecular Formula
C11H13BrN4O2
Molecular Weight
313.150000
Exact Mass
312.022190
SMILES
CC(C)(C)OC(=O)NC1=NC=NN2C1=CC=C2Br
InChI
InChI=1S/C11H13BrN4O2/c1-11(2,3)18-10(17)15-9-7-4-5-8(12)16(7)14-6-13-9/h4-6H,1-3H3,(H,13,14,15,17)
InChIKey
NHHCWZGALMKHQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.54
TPSA
68.52

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.3
Consensus LogP
2.55
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

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

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