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CAS 326023-10-3 BenzenesulfonaMide, N-(2,4-diMethylphenyl)-4-hydrazinyl-3-nitro- molecular structure lightbox
CAS RN: 326023-10-3

BenzenesulfonaMide, N-(2,4-diMethylphenyl)-4-hydrazinyl-3-nitro-

  • Product code: SSC-138248
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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 326023-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

326023-10-3 / N-(2,4-dimethylphenyl)-4-hydrazinyl-3-nitrobenzenesulfonamide

Standard CAS: 326023-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
326023-10-3
Multi CAS
No
Molecular Formula
C14H16N4O4S
Molecular Weight
336.370000
Exact Mass
336.089226
InChI
InChI=1S/C14H16N4O4S/c1-9-3-5-12(10(2)7-9)17-23(21,22)11-4-6-13(16-15)14(8-11)18(19)20/h3-8,16-17H,15H2,1-2H3
InChIKey
KLNLZPSIGGXWPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
87.63
TPSA
127.36

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
2.8
Consensus LogP
2.38
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
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)
-3.14

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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