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 |
1054484-40-0 / 3,5-dibromo-2-chloropyridin-4-amine
3,5-dibromo-2-chloropyridin-4-amine | 3,5-dibromo-2-chloro-4-pyridinamine | MFCD11110699
Basic Information
CAS
1054484-40-0
Multi CAS
Yes
Molecular Formula
C5H3Br2ClN2
Molecular Weight
286.350000
Exact Mass
285.833100
SMILES
C1=C(C(=C(C(=N1)Cl)Br)N)Br
InChI
InChI=1S/C5H3Br2ClN2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
InChIKey
JSWRREFUDHGVFW-UHFFFAOYSA-N
Synonyms
3,5-dibromo-2-chloropyridin-4-amine
3,5-dibromo-2-chloro-4-pyridinamine
MFCD11110699
4-Amino-1-chloro-3,5-dibromopyridine
4-AMINO-2-CHLORO-3,5-DIBROMOPYRIDINE
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.06
TPSA
38.91
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
2.5
Consensus LogP
2.62
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
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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