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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1092287-10-9 / 1,5-dibromoisoquinoline
1,5-dibromoisoquinoline | 1,5-Dibromo-isoquinoline | MFCD11557260
Basic Information
CAS
1092287-10-9
Multi CAS
No
Molecular Formula
C9H5Br2N
Molecular Weight
286.950000
Exact Mass
286.876820
SMILES
C1=CC2=C(C=CN=C2Br)C(=C1)Br
InChI
InChI=1S/C9H5Br2N/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H
InChIKey
SKYCABFBFRHWLJ-UHFFFAOYSA-N
Synonyms
1,5-dibromoisoquinoline
1,5-Dibromo-isoquinoline
MFCD11557260
AKOS027449318
SY070062
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
57.14
TPSA
12.89
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
3.8
Consensus LogP
3.63
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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8-bromo-4-methylcinnoline
- CAS RN: 1092287-69-8
- Product Code: starshine_CAS1092287-69-8
- Purity/Analytical method: >99.0%
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