CAS RN: 5720-26-3
5-HYDROXYDOPAMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-165299
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: 1g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
5720-26-3 / 5-(2-aminoethyl)benzene-1,2,3-triol;hydrochloride
Basic Information
CAS
5720-26-3
Multi CAS
Yes
Molecular Formula
C8H12CLNO3
Molecular Weight
205.640000
Exact Mass
205.050571
InChI
InChI=1S/C8H11NO3.ClH/c9-2-1-5-3-6(10)8(12)7(11)4-5;/h3-4,10-12H,1-2,9H2;1H
InChIKey
WSZSSLCEWCKAKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
51.44
TPSA
86.71
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
XLogP3
0.73
Consensus LogP
0.7
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
