CAS RN: 499977-24-1
(R)-3-Amino-3-(naphthalen-1-yl)propanoic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251117 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS499977-24-1
- Purity/Analytical Methods: >99.0%
499977-24-1 / 3-amino-3-naphthalen-1-ylpropanoic acid;hydrochloride
Basic Information
CAS
499977-24-1
Multi CAS
Yes
Molecular Formula
C13H14CLNO2
Molecular Weight
251.710000
Exact Mass
251.071306
InChI
InChI=1S/C13H13NO2.ClH/c14-12(8-13(15)16)11-7-3-5-9-4-1-2-6-10(9)11;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m1./s1
InChIKey
VUJZYACELDPKDE-UTONKHPSSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.38
TPSA
63.32
LogP / Solubility
WLOGP
2.74
MLOGP
2.41
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
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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