CAS RN: 67321-05-5
(S)-Benzyl2-amino-3-(benzyloxy)propanoate
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.20250618 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS67321-05-5
- Purity/Analytical Methods: >99.0%
67321-05-5 / benzyl (2S)-2-amino-3-phenylmethoxypropanoate
Basic Information
CAS
67321-05-5
Multi CAS
Yes
Molecular Formula
C17H19NO3
Molecular Weight
285.340000
Exact Mass
285.136493
InChI
InChI=1S/C17H19NO3/c18-16(13-20-11-14-7-3-1-4-8-14)17(19)21-12-15-9-5-2-6-10-15/h1-10,16H,11-13,18H2/t16-/m0/s1
InChIKey
ZYSSRDBCZVJBPQ-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.31
TPSA
61.55
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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