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CAS 1373223-84-7 4-Bromomethyl-pyrimidine hydrobromide molecular structure lightbox
CAS RN: 1373223-84-7

4-Bromomethyl-pyrimidine hydrobromide

  • Product code: SSC-046803
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1373223-84-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

1373223-84-7 / 4-(bromomethyl)pyrimidine;hydrobromide

Standard CAS: 1373223-84-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1373223-84-7
Multi CAS
No
Molecular Formula
C5H6Br2N2
Molecular Weight
253.920000
Exact Mass
253.887720
SMILES
C1=CN=CN=C1CBr.Br
InChI
InChI=1S/C5H5BrN2.BrH/c6-3-5-1-2-7-4-8-5;/h1-2,4H,3H2;1H
InChIKey
POXGELXMMJWSRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.99
TPSA
25.78

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.95
Consensus LogP
1.87
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

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