CAS RN: 1061214-06-9
Celecoxib iMpurity-G
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-007934
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1061214-06-9 / 4-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]benzenesulfonamide
4-(2-(1-(4-Methylphenyl)ethylidene)hydrazinyl)-benzenesulfonamide | 4-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-benzenesulfonamide | RefChem:511394
Basic Information
CAS
1061214-06-9
Multi CAS
Yes
Molecular Formula
C15H17N3O2S
Molecular Weight
303.400000
Exact Mass
303.104148
SMILES
CC1=CC=C(C=C1)/C(=N/NC2=CC=C(C=C2)S(=O)(=O)N)/C
InChI
InChI=1S/C15H17N3O2S/c1-11-3-5-13(6-4-11)12(2)17-18-14-7-9-15(10-8-14)21(16,19)20/h3-10,18H,1-2H3,(H2,16,19,20)/b17-12+
InChIKey
JCRSPJLUSHTDDS-SFQUDFHCSA-N
Synonyms
4-(2-(1-(4-Methylphenyl)ethylidene)hydrazinyl)-benzenesulfonamide
4-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-benzenesulfonamide
RefChem:511394
692-560-3
MFCD32214871
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
84.83
TPSA
84.55
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-2.81
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
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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