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CAS 1060795-14-3 Methyl5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylate molecular structure lightbox
CAS RN: 1060795-14-3

Methyl5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylate

  • Product code: SSC-007724
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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: 5g
  • 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 1060795-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1060795-14-3 / methyl 5-bromo-2-methylsulfonylpyrimidine-4-carboxylate

methyl 5-bromo-2-(methylsulfonyl)-4-pyrimidinecarboxylate | Methyl 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylate | MFCD11100780

Standard CAS: 1060795-14-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1060795-14-3
Multi CAS
Yes
Molecular Formula
C7H7BrN2O4S
Molecular Weight
295.110000
Exact Mass
293.930990
SMILES
COC(=O)C1=NC(=NC=C1Br)S(=O)(=O)C
InChI
InChI=1S/C7H7BrN2O4S/c1-14-6(11)5-4(8)3-9-7(10-5)15(2,12)13/h3H,1-2H3
InChIKey
IQAFWUQJFVDYTK-UHFFFAOYSA-N
Synonyms
methyl 5-bromo-2-(methylsulfonyl)-4-pyrimidinecarboxylate Methyl 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylate MFCD11100780 methyl 5-bromo-2-methylsulfonylpyrimidine-4-carboxylate Methyl5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
54.18
TPSA
86.22

LogP / Solubility

WLOGP
0.43
MLOGP
0.39
XLogP3
0.7
Consensus LogP
0.51
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.22

Drug-likeness / Medicinal Chemistry

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

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