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CAS 24567-76-8 N4-Ethyl-N4-(2-methanesulfonamidoethyl)-2-methyl-1,4-phenylenediamine Sesquisulfate Monohydrate molecular structure lightbox
CAS RN: 24567-76-8

N4-Ethyl-N4-(2-methanesulfonamidoethyl)-2-methyl-1,4-phenylenediamine Sesquisulfate Monohydrate

  • Product code: SSC-119342
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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 24567-76-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

24567-76-8 / bis(N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide);sulfuric acid

Standard CAS: 24567-76-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
24567-76-8
Multi CAS
No
Molecular Formula
C24H48N6O16S5
Molecular Weight
837.000000
Exact Mass
836.173035
SMILES
CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
InChI
InChI=1S/2C12H21N3O2S.3H2O4S/c2*1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;3*1-5(2,3)4/h2*5-6,9,14H,4,7-8,13H2,1-3H3;3*(H2,1,2,3,4)
InChIKey
NPDFXFLCEDDWEG-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder; Liquid; Pellets or Large Crystals Off-white to beige odorless crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
12
H-bond acceptors
14
H-bond donors
10
Molar refractivity
195.18
TPSA
374.66

LogP / Solubility

WLOGP
-0.05
MLOGP
0.03
XLogP3
-0.05
Consensus LogP
-0.02
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.86

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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