CAS RN: 1313516-26-5
L-ANAP
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251111 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1313516-26-5
- Purity/Analytical Methods: >99.0%
1313516-26-5 / (2S)-3-[(6-acetylnaphthalen-2-yl)amino]-2-aminopropanoic acid
Basic Information
CAS
1313516-26-5
Multi CAS
No
Molecular Formula
C15H16N2O3
Molecular Weight
272.300000
Exact Mass
272.116092
SMILES
CC(=O)C1=CC2=C(C=C1)C=C(C=C2)NC[C@@H](C(=O)O)N
InChI
InChI=1S/C15H16N2O3/c1-9(18)10-2-3-12-7-13(5-4-11(12)6-10)17-8-14(16)15(19)20/h2-7,14,17H,8,16H2,1H3,(H,19,20)/t14-/m0/s1
InChIKey
XKZCXMNMUMGDJG-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
78.05
TPSA
92.42
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
-0.2
Consensus LogP
1.11
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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