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CAS 1209459-66-4 methyl 2-bromopyrimidine-5-carboxylate molecular structure lightbox
CAS RN: 1209459-66-4

methyl 2-bromopyrimidine-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250804 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-022276
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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 1209459-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1209459-66-4 / methyl 2-bromopyrimidine-5-carboxylate

METHYL 2-BROMOPYRIMIDINE-5-CARBOXYLATE | RefChem:814237 | 822-908-3

Standard CAS: 1209459-66-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1209459-66-4
Multi CAS
No
Molecular Formula
C6H5BrN2O2
Molecular Weight
217.020000
Exact Mass
215.953440
SMILES
COC(=O)C1=CN=C(N=C1)Br
InChI
InChI=1S/C6H5BrN2O2/c1-11-5(10)4-2-8-6(7)9-3-4/h2-3H,1H3
InChIKey
ARONDYLNDUEGTF-UHFFFAOYSA-N
Synonyms
METHYL 2-BROMOPYRIMIDINE-5-CARBOXYLATE RefChem:814237 822-908-3 MFCD14702815 SCHEMBL18547783

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.07
TPSA
52.08

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
1.1
Consensus LogP
1.01
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.32

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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