CAS RN: 2236129-81-8
Benzenesulfonic acid, 2-(trifluoromethyl)-, 2-(2,2,2-trifluoroethylidene)hydrazide
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.20250724 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-109041
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 |
2236129-81-8 / N-[(E)-2,2,2-trifluoroethylideneamino]-2-(trifluoromethyl)benzenesulfonamide
Basic Information
CAS
2236129-81-8
Multi CAS
No
Molecular Formula
C9H6F6N2O2S
Molecular Weight
320.210000
Exact Mass
320.005418
SMILES
C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)N/N=C/C(F)(F)F
InChI
InChI=1S/C9H6F6N2O2S/c10-8(11,12)5-16-17-20(18,19)7-4-2-1-3-6(7)9(13,14)15/h1-5,17H/b16-5+
InChIKey
LWXWWCZKAYLUIO-FZSIALSZSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.31
TPSA
58.53
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
2.9
Consensus LogP
2.56
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
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
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