CAS RN: 100125-12-0
3,8-Dibromo-1,10-phenanthroline
Product Availability
Choose a grade to view its available package options.
10 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260406 | 100g | Out of stock | Inquiry | ||
| Batchno.20250607 | 10g | Out of stock | Inquiry | ||
| Batchno.20260501 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250211 | 250mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20260301 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260604 | 25g | Out of stock | Inquiry | ||
| Batchno.20250609 | 5g | Out of stock | Inquiry |
- Product code: SSC-000492
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, 5g
- Available purity: ≥96%
- 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.
100125-12-0 / 3,8-dibromo-1,10-phenanthroline
3,8-dibromo-1,10-phenanthroline | RefChem:487775 | 845-981-3
Basic Information
CAS
100125-12-0
Multi CAS
Yes
Molecular Formula
C12H6Br2N2
Molecular Weight
338.000000
Exact Mass
337.887720
SMILES
C1=CC2=CC(=CN=C2C3=NC=C(C=C31)Br)Br
InChI
InChI=1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H
InChIKey
IDWJREBUVYSPKS-UHFFFAOYSA-N
Synonyms
3,8-dibromo-1,10-phenanthroline
RefChem:487775
845-981-3
3,8-DIBROMOPHENANTHROLINE
1,10-Phenanthroline, 3,8-dibromo-
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
2
Molar refractivity
72.44
TPSA
25.78
LogP / Solubility
WLOGP
4.31
MLOGP
3.81
XLogP3
3.8
Consensus LogP
3.97
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
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
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
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