CAS RN: 1263303-95-2
DHODH-IN-11
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260303 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20260313 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251223 | 1g | Out of stock | Inquiry | |
| Batchno.20260110 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251101 | 250mg | In stock | Shenzhen | Inquiry |
| Batchno.20250310 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250522 | 50mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250209 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS1263303-95-2
- Purity/Analytical Methods: >99.0%
1263303-95-2 / (2E)-2-cyano-2-hydroxyimino-N-(4-phenylphenyl)acetamide
Basic Information
CAS
1263303-95-2
Multi CAS
No
Molecular Formula
C15H11N3O2
Molecular Weight
265.270000
Exact Mass
265.085127
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)/C(=N/O)/C#N
InChI
InChI=1S/C15H11N3O2/c16-10-14(18-20)15(19)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,20H,(H,17,19)/b18-14+
InChIKey
YFGFEIDPJVPFOM-NBVRZTHBSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.34
TPSA
85.48
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
4.1
Consensus LogP
3.03
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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