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 | Beijing | Inquiry |
503864-02-6 / 4,7-dichloro-5-methyl-1,10-phenanthroline
Basic Information
CAS
503864-02-6
Multi CAS
No
Molecular Formula
C13H8CL2N2
Molecular Weight
263.120000
Exact Mass
262.006454
InChI
InChI=1S/C13H8Cl2N2/c1-7-6-8-9(14)2-4-16-12(8)13-11(7)10(15)3-5-17-13/h2-6H,1H3
InChIKey
NOAAEEUNKLEBBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.08
H-bond acceptors
2
Molar refractivity
71.8
TPSA
25.78
LogP / Solubility
WLOGP
4.4
MLOGP
3.88
XLogP3
4.1
Consensus LogP
4.13
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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)
-1.2
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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