![CAS 1407504-41-9 Benzo[h]quinoline, 2,4-dichloro-6-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1407504-41-9(2).gif)
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1407504-41-9 / 2,4-dichloro-6-phenylbenzo[h]quinoline
Basic Information
CAS
1407504-41-9
Multi CAS
No
Molecular Formula
C19H11Cl2N
Molecular Weight
324.200000
Exact Mass
323.026855
SMILES
C1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C42)N=C(C=C3Cl)Cl
InChI
InChI=1S/C19H11Cl2N/c20-17-11-18(21)22-19-14-9-5-4-8-13(14)15(10-16(17)19)12-6-2-1-3-7-12/h1-11H
InChIKey
KWSNFRSCFWDWKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
94.71
TPSA
12.89
LogP / Solubility
WLOGP
6.36
MLOGP
5.61
XLogP3
6.7
Consensus LogP
6.22
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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