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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
6219-67-6 / 4-methoxybenzene-1,3-diamine;sulfuric acid
Basic Information
CAS
6219-67-6
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
