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 |
17355-19-0 / methyl (2S)-2-amino-3-(4-methoxyphenyl)propanoate
Basic Information
CAS
17355-19-0
Multi CAS
No
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
SMILES
COC1=CC=C(C=C1)C[C@@H](C(=O)OC)N
InChI
InChI=1S/C11H15NO3/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1
InChIKey
USYGMXDJUAQNGU-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.69
TPSA
61.55
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
1.2
Consensus LogP
0.86
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
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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VAL-TYR-VAL
- CAS RN: 17355-22-5
- Product Code: starshine_CAS17355-22-5
- Purity/Analytical method: >99.0%
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