![CAS 286371-44-6 4-[(6,7-DiMethoxy-4-quinolyl)oxy]-2-chloroaniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/286371-44-6.png)
CAS RN: 286371-44-6
4-[(6,7-DiMethoxy-4-quinolyl)oxy]-2-chloroaniline
- Product code: SSC-130128
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 |
286371-44-6 / 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline
Basic Information
CAS
286371-44-6
Multi CAS
No
Molecular Formula
C17H15CLN2O3
Molecular Weight
330.800000
Exact Mass
330.077120
InChI
InChI=1S/C17H15ClN2O3/c1-21-16-8-11-14(9-17(16)22-2)20-6-5-15(11)23-10-3-4-13(19)12(18)7-10/h3-9H,19H2,1-2H3
InChIKey
MSAYDMJFSCQXQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
90.79
TPSA
66.6
LogP / Solubility
WLOGP
4.28
MLOGP
3.78
XLogP3
3.6
Consensus LogP
3.89
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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