CAS RN: 2829292-61-5
(R)-Methyl 3-amino-3-(naphthalen-1-yl)propanoate 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.20250321 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2829292-61-5
- Purity/Analytical Methods: >99.0%
2829292-61-5 / methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride
Basic Information
CAS
2829292-61-5
Multi CAS
No
Molecular Formula
C14H16ClNO2
Molecular Weight
265.730000
Exact Mass
265.086956
InChI
InChI=1S/C14H15NO2.ClH/c1-17-14(16)9-13(15)12-8-4-6-10-5-2-3-7-11(10)12;/h2-8,13H,9,15H2,1H3;1H/t13-;/m1./s1
InChIKey
ZNGAZRIEWXNCBQ-BTQNPOSSSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.76
TPSA
52.32
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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