CAS RN: 349400-40-4
N-(5-Nitro-2-thiazolyl)-2-phenylquinoline-4-carboxamide
- Product code: SSC-141630
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 0.1g, 0.25g, 1g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
349400-40-4 / N-(5-nitro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
Basic Information
CAS
349400-40-4
Multi CAS
No
Molecular Formula
C19H12N4O3S
Molecular Weight
376.400000
Exact Mass
376.063011
InChI
InChI=1S/C19H12N4O3S/c24-18(22-19-20-11-17(27-19)23(25)26)14-10-16(12-6-2-1-3-7-12)21-15-9-5-4-8-13(14)15/h1-11H,(H,20,22,24)
InChIKey
QSGDVDULPGKPOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
21
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
103.9
TPSA
98.02
LogP / Solubility
WLOGP
4.52
MLOGP
4
XLogP3
4.2
Consensus LogP
4.24
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.81
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
3
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