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: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1211520-71-6 / 2,5-dibromo-4-methoxypyridine
2,5-Dibromo-4-methoxypyridine | MFCD18255776 | 2,5-Dibromo-4-methoxy-pyridine
Basic Information
CAS
1211520-71-6
Multi CAS
No
Molecular Formula
C6H5Br2NO
Molecular Weight
266.920000
Exact Mass
266.871740
SMILES
COC1=CC(=NC=C1Br)Br
InChI
InChI=1S/C6H5Br2NO/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3
InChIKey
DJDWOEGZGVBCMN-UHFFFAOYSA-N
Synonyms
2,5-Dibromo-4-methoxypyridine
MFCD18255776
2,5-Dibromo-4-methoxy-pyridine
SCHEMBL15933053
DJDWOEGZGVBCMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.19
TPSA
22.12
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.5
Consensus LogP
2.48
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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