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CAS 1076-51-3 (S)-3-aMino-2-phenylpropanoic acid molecular structure lightbox
CAS RN: 1076-51-3

(S)-3-aMino-2-phenylpropanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-009104
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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: 0.25g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1076-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

1076-51-3 / (2S)-3-amino-2-phenylpropanoic acid

(R)-3-Amino-2-phenylpropionic acid | RefChem:407276 | 632-604-0

Standard CAS: 1076-51-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1076-51-3
Multi CAS
Yes
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
C1=CC=C(C=C1)[C@@H](CN)C(=O)O
InChI
InChI=1S/C9H11NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChIKey
LRCYAJZPDFSJPQ-MRVPVSSYSA-N
Synonyms
(R)-3-Amino-2-phenylpropionic acid RefChem:407276 632-604-0 (R)-3-Amino-2-phenylpropanoic acid (2R)-3-AMINO-2-PHENYLPROPANOIC ACID

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.87
TPSA
63.32

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
-1.8
Consensus LogP
-0.09
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-3.15

Drug-likeness / Medicinal Chemistry

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

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