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CAS 1198413-10-3 8-BroMo-pyrido[1,2-a]pyriMidin-4-one molecular structure lightbox
CAS RN: 1198413-10-3

8-BroMo-pyrido[1,2-a]pyriMidin-4-one

  • Product code: SSC-020628
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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 1198413-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1198413-10-3 / 8-bromopyrido[1,2-a]pyrimidin-4-one

8-bromo-4H-pyrido[1,2-a]pyrimidin-4-one | 8-Bromo-4H-pyrido(1,2-a)pyrimidin-4-one | RefChem:311836

Standard CAS: 1198413-10-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1198413-10-3
Multi CAS
No
Molecular Formula
C8H5BrN2O
Molecular Weight
225.040000
Exact Mass
223.958530
SMILES
C1=CN=C2C=C(C=CN2C1=O)Br
InChI
InChI=1S/C8H5BrN2O/c9-6-2-4-11-7(5-6)10-3-1-8(11)12/h1-5H
InChIKey
CVYFPYSSTYXLMX-UHFFFAOYSA-N
Synonyms
8-bromo-4H-pyrido[1,2-a]pyrimidin-4-one 8-Bromo-4H-pyrido(1,2-a)pyrimidin-4-one RefChem:311836 8-bromopyrido[1,2-a]pyrimidin-4-one MFCD25956423

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
49.16
TPSA
34.37

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
0.6
Consensus LogP
1.12
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-3.06

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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