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CAS 19350-68-6 4-Bromobenzaldehyde tosylhydrazone molecular structure lightbox
CAS RN: 19350-68-6

4-Bromobenzaldehyde tosylhydrazone

  • Product code: SSC-090982
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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: 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 19350-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

19350-68-6 / N-[(4-bromophenyl)methylideneamino]-4-methylbenzenesulfonamide

Standard CAS: 19350-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19350-68-6
Multi CAS
No
Molecular Formula
C14H13BrN2O2S
Molecular Weight
353.240000
Exact Mass
351.988110
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H13BrN2O2S/c1-11-2-8-14(9-3-11)20(18,19)17-16-10-12-4-6-13(15)7-5-12/h2-10,17H,1H3/b16-10+
InChIKey
BPJBUIWCUYKVNL-MHWRWJLKSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.24
TPSA
58.53

LogP / Solubility

WLOGP
3.07
MLOGP
2.72
XLogP3
3.6
Consensus LogP
3.13
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7

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
1.5

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