[email protected]
CAS 481054-47-1 Benzenepropanoic acid, β-amino-α-hydroxy-, ethyl ester, (αR,βR)- molecular structure lightbox
CAS RN: 481054-47-1

Benzenepropanoic acid, β-amino-α-hydroxy-, ethyl ester, (αR,βR)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-155075
GET A QUOTE
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
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 481054-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

481054-47-1 / ethyl 3-amino-2-hydroxy-3-phenylpropanoate

Standard CAS: 481054-47-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
481054-47-1
Multi CAS
Yes
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
InChI
InChI=1S/C11H15NO3/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9-10,13H,2,12H2,1H3/t9-,10-/m1/s1
InChIKey
PIYPODQNLLWXJG-NXEZZACHSA-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
2
Molar refractivity
56.01
TPSA
72.55

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.5
Consensus LogP
0.55
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us