CAS RN: 16523-31-2
4,6-Diaminoresorcinol Dihydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250703 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250607 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250113 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250708 | 500g | Out of stock | Inquiry | |
| Batchno.20250521 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: ICTD1888
- Purity/Analytical Methods: >98.0%(T)(N)
16523-31-2 / 4,6-diaminobenzene-1,3-diol;dihydrochloride
Basic Information
CAS
16523-31-2
Multi CAS
No
Molecular Formula
C6H10Cl2N2O2
Molecular Weight
213.060000
Exact Mass
212.011933
SMILES
C1=C(C(=CC(=C1N)O)O)N.Cl.Cl
InChI
InChI=1S/C6H8N2O2.2ClH/c7-3-1-4(8)6(10)2-5(3)9;;/h1-2,9-10H,7-8H2;2*1H
InChIKey
KUMOYHHELWKOCB-UHFFFAOYSA-N
Physical Properties
Physical Description
Grey or purple solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
53.09
TPSA
92.5
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
1.11
Consensus LogP
1.06
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
![CAS 16502-01-5 1,2,3,4-TETRAHYDRO-9H-PYRIDO[3,4-B]INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16502-01-5.gif)