CAS RN: 1097250-94-6
ETHYL 5-BROMO-6-CHLOROPYRIMIDINE-4-CARBOXYLATE
- Product code: SSC-011078
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, 5g, 1g
- Available purity: >97%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
1097250-94-6 / ethyl 5-bromo-6-chloropyrimidine-4-carboxylate
ETHYL 5-BROMO-6-CHLOROPYRIMIDINE-4-CARBOXYLATE | Ethyl 5-bromo-6-chloro-pyrimidine-4-carboxylate | MFCD17016131
Basic Information
CAS
1097250-94-6
Multi CAS
No
Molecular Formula
C7H6BrClN2O2
Molecular Weight
265.490000
Exact Mass
263.930120
SMILES
CCOC(=O)C1=C(C(=NC=N1)Cl)Br
InChI
InChI=1S/C7H6BrClN2O2/c1-2-13-7(12)5-4(8)6(9)11-3-10-5/h3H,2H2,1H3
InChIKey
SUXXMMJXOBCYRK-UHFFFAOYSA-N
Synonyms
ETHYL 5-BROMO-6-CHLOROPYRIMIDINE-4-CARBOXYLATE
Ethyl 5-bromo-6-chloro-pyrimidine-4-carboxylate
MFCD17016131
SCHEMBL10177635
PB21455
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.7
TPSA
52.08
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.87
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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