![CAS 1255147-41-1 2-[4-(Aminocarbonyl)phenoxy]quinoline-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62557733.gif)
CAS RN: 1255147-41-1
2-[4-(Aminocarbonyl)phenoxy]quinoline-4-carboxylic acid
- Product code: SSC-030258
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 | Shanghai | Inquiry |
1255147-41-1 / 2-(4-carbamoylphenoxy)quinoline-4-carboxylic acid
Basic Information
CAS
1255147-41-1
Multi CAS
No
Molecular Formula
C17H12N2O4
Molecular Weight
308.290000
Exact Mass
308.079707
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)OC3=CC=C(C=C3)C(=O)N)C(=O)O
InChI
InChI=1S/C17H12N2O4/c18-16(20)10-5-7-11(8-6-10)23-15-9-13(17(21)22)12-3-1-2-4-14(12)19-15/h1-9H,(H2,18,20)(H,21,22)
InChIKey
NFIPSBGLAJUGCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.74
TPSA
102.51
LogP / Solubility
WLOGP
2.82
MLOGP
2.5
XLogP3
2.5
Consensus LogP
2.61
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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