CAS RN: 1752-96-1
NICOTINANILIDE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260325 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251231 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | 8-10 business days | Inquiry |
| Batchno.20250402 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20251118 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS1752-96-1
- Purity/Analytical Methods: >99.0%
1752-96-1 / N-phenylpyridine-3-carboxamide
Basic Information
CAS
1752-96-1
Multi CAS
No
Molecular Formula
C12H10N2O
Molecular Weight
198.220000
Exact Mass
198.079313
SMILES
C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKey
NYQXIOZBHWFCBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.63
TPSA
41.99
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
1.7
Consensus LogP
2.03
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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