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CAS 327092-54-6 N-(3-CHLORO-PHENYL)-4-HYDRAZINO-3-NITRO-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 327092-54-6

N-(3-CHLORO-PHENYL)-4-HYDRAZINO-3-NITRO-BENZENESULFONAMIDE

  • Product code: SSC-138393
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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: 1g
  • 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 327092-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

327092-54-6 / N-(3-chlorophenyl)-4-hydrazinyl-3-nitrobenzenesulfonamide

Standard CAS: 327092-54-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
327092-54-6
Multi CAS
No
Molecular Formula
C12H11CLN4O4S
Molecular Weight
342.760000
Exact Mass
342.018954
InChI
InChI=1S/C12H11ClN4O4S/c13-8-2-1-3-9(6-8)16-22(20,21)10-4-5-11(15-14)12(7-10)17(18)19/h1-7,15-16H,14H2
InChIKey
LZGAGAMFWXXPTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
83.17
TPSA
127.36

LogP / Solubility

WLOGP
2.33
MLOGP
2.07
XLogP3
2.7
Consensus LogP
2.37
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
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)
-3.15

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

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