CAS RN: 890522-56-2
Benzenesulfonic acid, 2-(trifluoromethyl)-, hydrazide
- Product code: SSC-200904
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 | Hong Kong | Inquiry |
890522-56-2 / 2-(trifluoromethyl)benzenesulfonohydrazide
Basic Information
CAS
890522-56-2
Multi CAS
No
Molecular Formula
C7F3H7N2O2S
Molecular Weight
240.210000
Exact Mass
240.018033
InChI
InChI=1S/C7H7F3N2O2S/c8-7(9,10)5-3-1-2-4-6(5)15(13,14)12-11/h1-4,12H,11H2
InChIKey
ISSXDMNIXWMHRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.95
TPSA
72.19
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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