CAS RN: 114673-68-6
(2R)-2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHAN-1-OL
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250502 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS114673-68-6
- Purity/Analytical Methods: >99.0%
114673-68-6 / (2R)-2-amino-2-(3,4-dimethoxyphenyl)ethanol
2-amino-2-(3,4-dimethoxyphenyl)ethanol | 2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHAN-1-OL | SCHEMBL1966508
Basic Information
CAS
114673-68-6
Multi CAS
Yes
Molecular Formula
C10H15NO3
Molecular Weight
197.230000
Exact Mass
197.105193
SMILES
COC1=C(C=C(C=C1)[C@H](CO)N)OC
InChI
InChI=1S/C10H15NO3/c1-13-9-4-3-7(8(11)6-12)5-10(9)14-2/h3-5,8,12H,6,11H2,1-2H3/t8-/m0/s1
InChIKey
JVZVUXBFNRPOAY-QMMMGPOBSA-N
Synonyms
2-amino-2-(3,4-dimethoxyphenyl)ethanol
2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHAN-1-OL
SCHEMBL1966508
MFCD11213658
AB88399
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.56
TPSA
64.71
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
-0.3
Consensus LogP
0.34
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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