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CAS 50593-91-4 METHYL 5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLATE, 97 molecular structure lightbox
CAS RN: 50593-91-4

METHYL 5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLATE, 97

  • Product code: SSC-157176
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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, 5g, 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 50593-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

50593-91-4 / methyl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate

Standard CAS: 50593-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50593-91-4
Multi CAS
No
Molecular Formula
BC7H7O2Rn2S
Molecular Weight
263.110000
Exact Mass
261.941160
InChI
InChI=1S/C7H7BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3
InChIKey
MYZJIEWTRJTWCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
52.85
TPSA
52.08

LogP / Solubility

WLOGP
1.75
MLOGP
1.55
XLogP3
1.9
Consensus LogP
1.73
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-3.08

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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