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CAS 379254-61-2 3-HYDRAZINOCARBONYL-N-(3-TRIFLUOROMETHYL-PHENYL)-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 379254-61-2

3-HYDRAZINOCARBONYL-N-(3-TRIFLUOROMETHYL-PHENYL)-BENZENESULFONAMIDE

  • Product code: SSC-145376
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 379254-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

379254-61-2 / 3-(hydrazinecarbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Standard CAS: 379254-61-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
379254-61-2
Multi CAS
No
Molecular Formula
C14F3H12N3O3S
Molecular Weight
359.330000
Exact Mass
359.055147
InChI
InChI=1S/C14H12F3N3O3S/c15-14(16,17)10-4-2-5-11(8-10)20-24(22,23)12-6-1-3-9(7-12)13(21)19-18/h1-8,20H,18H2,(H,19,21)
InChIKey
KBKSVBWSGSNEDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
80.35
TPSA
101.29

LogP / Solubility

WLOGP
2.11
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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