[email protected]
CAS 122555-04-8 H-Phe(4-Ac)-OH molecular structure lightbox
CAS RN: 122555-04-8

H-Phe(4-Ac)-OH

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250420 100mg In stock Shanghai Inquiry
Batchno.20260302 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20260111 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260514 250mg In stock Shanghai Inquiry
Batchno.20250131 5g In stock Shanghai Inquiry
  • Product code: SSC-025539
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: ＞97%
  • 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 122555-04-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

122555-04-8 / (2S)-3-(4-acetylphenyl)-2-aminopropanoic acid

Standard CAS: 122555-04-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122555-04-8
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
CC(=O)C1=CC=C(C=C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
InChIKey
ZXSBHXZKWRIEIA-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.76
TPSA
80.39

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
-1.4
Consensus LogP
0.06
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us