CAS RN: 122745-10-2
3-(1-Naphthyl)-L-alanine Hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-025924
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
122745-10-2 / (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;hydrochloride
Basic Information
CAS
122745-10-2
Multi CAS
No
Molecular Formula
C13H14ClNO2
Molecular Weight
251.710000
Exact Mass
251.071306
SMILES
C1=CC=C2C(=C1)C=CC=C2C[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C13H13NO2.ClH/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m0./s1
InChIKey
BKQQPCDQZZTLSE-YDALLXLXSA-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
70.51
TPSA
63.32
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.22
Consensus LogP
2.13
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
