CAS RN: 2829279-71-0
(R)-2-amino-2-(naphthalen-1-yl)ethanol 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.20251030 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2829279-71-0
- Purity/Analytical Methods: >99.0%
2829279-71-0 / (2R)-2-amino-2-naphthalen-1-ylethanol;hydrochloride
Basic Information
CAS
2829279-71-0
Multi CAS
No
Molecular Formula
C12H14CLNO
Molecular Weight
223.700000
Exact Mass
223.076392
InChI
InChI=1S/C12H13NO.ClH/c13-12(8-14)11-7-3-5-9-4-1-2-6-10(9)11;/h1-7,12,14H,8,13H2;1H/t12-;/m0./s1
InChIKey
FVBAFGXQIAHFGZ-YDALLXLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.21
TPSA
46.25
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
2.25
Consensus LogP
2.16
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
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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