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CAS 1210824-80-8 2-BROMO-5-NITROPYRIMIDINE molecular structure lightbox
CAS RN: 1210824-80-8

2-BROMO-5-NITROPYRIMIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-022437
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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: ＞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 1210824-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1210824-80-8 / 2-bromo-5-nitropyrimidine

2-Bromo-5-nitropyrimidine | MFCD07778612 | 2-bromo-5-nitro-pyrimidine

Standard CAS: 1210824-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1210824-80-8
Multi CAS
No
Molecular Formula
C4H2BrN3O2
Molecular Weight
203.980000
Exact Mass
202.933040
SMILES
C1=C(C=NC(=N1)Br)[N+](=O)[O-]
InChI
InChI=1S/C4H2BrN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H
InChIKey
LTZZMWXCPNGVNJ-UHFFFAOYSA-N
Synonyms
2-Bromo-5-nitropyrimidine MFCD07778612 2-bromo-5-nitro-pyrimidine 5-Nitro-2-bromopyrimidine SCHEMBL10113803

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
36.39
TPSA
68.92

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
1.1
Consensus LogP
1.09
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.15

Drug-likeness / Medicinal Chemistry

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

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