[email protected]
CAS 937614-43-2 Ethyl 5-bromo-6-hydroxypyrimidine-4-carboxylate molecular structure lightbox
CAS RN: 937614-43-2

Ethyl 5-bromo-6-hydroxypyrimidine-4-carboxylate

  • Product code: SSC-208232
GET A QUOTE
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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 937614-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Shanghai Inquiry
0.25g ≥97% 5 In Stock Beijing Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry

937614-43-2 / ethyl 5-bromo-6-oxo-1H-pyrimidine-4-carboxylate

Standard CAS: 937614-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937614-43-2
Multi CAS
No
Molecular Formula
BC7H7O3Rn2
Molecular Weight
247.050000
Exact Mass
245.964000
InChI
InChI=1S/C7H7BrN2O3/c1-2-13-7(12)5-4(8)6(11)10-3-9-5/h3H,2H2,1H3,(H,9,10,11)
InChIKey
QVYLADNMRPAEKA-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
4
H-bond donors
1
Molar refractivity
48.51
TPSA
72.05

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.6
Consensus LogP
0.65
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-3.72

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us