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CAS 39156-41-7 2,4-Diaminoanisole sulfate molecular structure lightbox
CAS RN: 39156-41-7

2,4-Diaminoanisole sulfate

  • Product code: SSC-146776
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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: 100g
  • Available purity: ＞97%
  • 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 39156-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

39156-41-7 / 4-methoxybenzene-1,3-diamine;sulfuric acid

Standard CAS: 39156-41-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
39156-41-7
Multi CAS
Yes
Molecular Formula
C7H12N2O5S
Molecular Weight
236.250000
Exact Mass
236.046693
InChI
InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
InChIKey
FDJQHYWUHGBBTO-UHFFFAOYSA-N

Physical Properties

Melting Point
372 to 378 °F (decomposes) (NTP, 1992)
Physical Description
2,4-diaminoanisole sulfate appears as off-white to violet or dark brown powder. Emits toxic fumes of nitrogen oxides and sulfur oxides when heated to decomposition. Off-white to violet solid; [Merck Index] Brown-grey powder
Appearance
OFF-WHITE TO VIOLET POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
4
Molar refractivity
56
TPSA
135.87

LogP / Solubility

WLOGP
0.21
MLOGP
0.19
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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