CAS RN: 1189958-49-3
4-(2-AMINOETHOXY)-3-METHOXYPHENOL-D3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1189958-49-3
- Purity/Analytical Methods: >99.0%
1189958-49-3 / 4-(2-aminoethoxy)-3-(trideuteriomethoxy)phenol
4-(2-Aminoethoxy)-3-methoxyphenol-d3 | 4-(2-Aminoethoxy)-3-(trideuteriomethoxy)phenol | 4-(2-Amino-ethoxy)-3-methoxy-phenol-d3;2-(4-Hydroxy-2-methoxy-phenoxy)-ethyl Amine-d3;
Basic Information
CAS
1189958-49-3
Multi CAS
No
Molecular Formula
C9H13NO3
Molecular Weight
186.220000
Exact Mass
186.108374
SMILES
[2H]C([2H])([2H])OC1=C(C=CC(=C1)O)OCCN
InChI
InChI=1S/C9H13NO3/c1-12-9-6-7(11)2-3-8(9)13-5-4-10/h2-3,6,11H,4-5,10H2,1H3/i1D3
InChIKey
ZJWDKSXPRPBBIJ-FIBGUPNXSA-N
Synonyms
4-(2-Aminoethoxy)-3-methoxyphenol-d3
4-(2-Aminoethoxy)-3-(trideuteriomethoxy)phenol
4-(2-Amino-ethoxy)-3-methoxy-phenol-d3;2-(4-Hydroxy-2-methoxy-phenoxy)-ethyl Amine-d3;
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.21
TPSA
64.71
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
-0.1
Consensus LogP
0.43
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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