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, 10g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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 | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
1214375-76-4 / ethyl 3,5-dibromopyridine-4-carboxylate
Basic Information
CAS
1214375-76-4
Multi CAS
No
Molecular Formula
C8H7Br2NO2
Molecular Weight
308.950000
Exact Mass
308.882300
SMILES
CCOC(=O)C1=C(C=NC=C1Br)Br
InChI
InChI=1S/C8H7Br2NO2/c1-2-13-8(12)7-5(9)3-11-4-6(7)10/h3-4H,2H2,1H3
InChIKey
KWKKIQCPLDQVFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.59
TPSA
39.19
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
2.5
Consensus LogP
2.58
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
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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- CAS RN: 1214377-19-1
- Product Code: SSC-023841
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