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CAS 100707-39-9 5-Bromo-2-methyl-4-pyrimidinecarboxylic acid molecular structure lightbox
CAS RN: 100707-39-9

5-Bromo-2-methyl-4-pyrimidinecarboxylic acid

Product Availability

Choose a grade to view its available package options.

12 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260517 10g In stock Inquiry
Batchno.20260103 1g In stock Inquiry
Batchno.20251007 250mg In stock Inquiry
Batchno.20250418 25g Out of stock Inquiry
Batchno.20250613 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 100g Out of stock Inquiry
Batchno.20250913 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250601 10g In stock Shanghai, Wuhan Inquiry
Batchno.20260404 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250908 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250214 25g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260501 5g In stock Chengdu Inquiry
  • Product code: SSC-001386
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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 100707-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

100707-39-9 / 5-bromo-2-methylpyrimidine-4-carboxylic acid

5-Bromo-2-methylpyrimidine-4-carboxylic acid | DTXSID80292446 | RefChem:301721

Standard CAS: 100707-39-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100707-39-9
Multi CAS
No
Molecular Formula
C6H5BrN2O2
Molecular Weight
217.020000
Exact Mass
215.953440
SMILES
CC1=NC=C(C(=N1)C(=O)O)Br
InChI
InChI=1S/C6H5BrN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11)
InChIKey
MDERWSRHRJUWNS-UHFFFAOYSA-N
Synonyms
5-Bromo-2-methylpyrimidine-4-carboxylic acid DTXSID80292446 RefChem:301721 DTXCID70243588 838-636-3

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.43
TPSA
63.08

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.2
Consensus LogP
1.18
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-3.16

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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