CAS RN: 2501907-26-0
(R)-2-amino-2-(2-methoxyphenyl)ethan-1-ol hydrochloride
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.20260406 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2501907-26-0
- Purity/Analytical Methods: >99.0%
2501907-26-0 / (2R)-2-amino-2-(2-methoxyphenyl)ethanol;hydrochloride
Basic Information
CAS
2501907-26-0
Multi CAS
No
Molecular Formula
C9H14ClNO2
Molecular Weight
203.660000
Exact Mass
203.071306
SMILES
COC1=CC=CC=C1[C@H](CO)N.Cl
InChI
InChI=1S/C9H13NO2.ClH/c1-12-9-5-3-2-4-7(9)8(10)6-11;/h2-5,8,11H,6,10H2,1H3;1H/t8-;/m0./s1
InChIKey
QOAVNXAFMBMWPP-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.26
TPSA
55.48
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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