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CAS 114457-94-2 N-(Pyrazinylcarbonyl)-L-phenylalanine molecular structure lightbox
CAS RN: 114457-94-2

N-(Pyrazinylcarbonyl)-L-phenylalanine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-014247
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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: 5g
  • Available purity: ＞97%
  • 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 114457-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

114457-94-2 / (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid

N-(Pyrazinylcarbonyl)-L-phenylalanine | 9R67B83S2T | RefChem:1091464

Standard CAS: 114457-94-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114457-94-2
Multi CAS
Yes
Molecular Formula
C14H13N3O3
Molecular Weight
271.270000
Exact Mass
271.095691
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKey
DWYZPDHMMZGQAP-NSHDSACASA-N
Synonyms
N-(Pyrazinylcarbonyl)-L-phenylalanine 9R67B83S2T RefChem:1091464 (S)-3-Phenyl-2-(pyrazine-2-carboxamido)propanoic acid (S)-3-Phenyl-2-[(pyrazin-2-ylcarbonyl)amino] propanoic acid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.07
TPSA
92.18

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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